About 1-chloro-2-methylbenzene;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;2,4-dichloro-1-methylbenzene;1-fluoro-3-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;3-methylphenol;4-methylphenol;3-methylpyridine;4-methylpyridine;1-methyl-3-(trifluoromethyl)benzene;toluene;N,N,4-trimethylaniline;1,2-xylene;1,3-xylene;1,4-xylene
1-chloro-2-methylbenzene;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;2,4-dichloro-1-methylbenzene;1-fluoro-3-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;3-methylphenol;4-methylphenol;3-methylpyridine;4-methylpyridine;1-methyl-3-(trifluoromethyl)benzene;toluene;N,N,4-trimethylaniline;1,2-xylene;1,3-xylene;1,4-xylene (PubChem CID 160731554) has the molecular formula C125H142Cl5F4N3O4
and a molecular weight of 2003.78 g/mol. Its IUPAC name is 1-chloro-2-methylbenzene;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;2,4-dichloro-1-methylbenzene;1-fluoro-3-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;3-methylphenol;4-methylphenol;3-methylpyridine;4-methylpyridine;1-methyl-3-(trifluoromethyl)benzene;toluene;N,N,4-trimethylaniline;1,2-xylene;1,3-xylene;1,4-xylene.
Frequently Asked Questions
What is the IUPAC name of 1-chloro-2-methylbenzene;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;2,4-dichloro-1-methylbenzene;1-fluoro-3-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;3-methylphenol;4-methylphenol;3-methylpyridine;4-methylpyridine;1-methyl-3-(trifluoromethyl)benzene;toluene;N,N,4-trimethylaniline;1,2-xylene;1,3-xylene;1,4-xylene?
The IUPAC name of 1-chloro-2-methylbenzene;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;2,4-dichloro-1-methylbenzene;1-fluoro-3-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;3-methylphenol;4-methylphenol;3-methylpyridine;4-methylpyridine;1-methyl-3-(trifluoromethyl)benzene;toluene;N,N,4-trimethylaniline;1,2-xylene;1,3-xylene;1,4-xylene (CID 160731554) is 1-chloro-2-methylbenzene;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;2,4-dichloro-1-methylbenzene;1-fluoro-3-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;3-methylphenol;4-methylphenol;3-methylpyridine;4-methylpyridine;1-methyl-3-(trifluoromethyl)benzene;toluene;N,N,4-trimethylaniline;1,2-xylene;1,3-xylene;1,4-xylene.
What is the SMILES notation for 1-chloro-2-methylbenzene;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;2,4-dichloro-1-methylbenzene;1-fluoro-3-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;3-methylphenol;4-methylphenol;3-methylpyridine;4-methylpyridine;1-methyl-3-(trifluoromethyl)benzene;toluene;N,N,4-trimethylaniline;1,2-xylene;1,3-xylene;1,4-xylene?
The canonical SMILES for 1-chloro-2-methylbenzene;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;2,4-dichloro-1-methylbenzene;1-fluoro-3-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;3-methylphenol;4-methylphenol;3-methylpyridine;4-methylpyridine;1-methyl-3-(trifluoromethyl)benzene;toluene;N,N,4-trimethylaniline;1,2-xylene;1,3-xylene;1,4-xylene is COc1ccc(C)cc1.COc1cccc(C)c1.Cc1ccc(C)cc1.Cc1ccc(Cl)cc1.Cc1ccc(Cl)cc1Cl.Cc1ccc(N(C)C)cc1.Cc1ccc(O)cc1.Cc1cccc(C(F)(F)F)c1.Cc1cccc(C)c1.Cc1cccc(Cl)c1.Cc1cccc(F)c1.Cc1cccc(O)c1.Cc1ccccc1.Cc1ccccc1C.Cc1ccccc1Cl.Cc1cccnc1.Cc1ccncc1.
What is the InChIKey of 1-chloro-2-methylbenzene;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;2,4-dichloro-1-methylbenzene;1-fluoro-3-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;3-methylphenol;4-methylphenol;3-methylpyridine;4-methylpyridine;1-methyl-3-(trifluoromethyl)benzene;toluene;N,N,4-trimethylaniline;1,2-xylene;1,3-xylene;1,4-xylene?
The InChIKey is RUKIWDIEJWPQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N.C8H7F3.2C8H10O.3C8H10.C7H6Cl2.3C7H7Cl.C7H7F.2C7H8O.C7H8.2C6H7N/c1-8-4-6-9(7-5-8)10(2)3;1-6-3-2-4-7(5-6)8(9,10)11;1-7-3-5-8(9-2)6-4-7;1-7-4-3-5-8(6-7)9-2;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2;1-5-2-3-6(8)4-7(5)9;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-6-4-2-3-5-7(6)8;1-6-3-2-4-7(8)5-6;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6/h4-7H,1-3H3;2-5H,1H3;2*3-6H,1-2H3;3*3-6H,1-2H3;2-4H,1H3;4*2-5H,1H3;2*2-5,8H,1H3;2-6H,1H3;2*2-5H,1H3.
What are the key properties of 1-chloro-2-methylbenzene;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;2,4-dichloro-1-methylbenzene;1-fluoro-3-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;3-methylphenol;4-methylphenol;3-methylpyridine;4-methylpyridine;1-methyl-3-(trifluoromethyl)benzene;toluene;N,N,4-trimethylaniline;1,2-xylene;1,3-xylene;1,4-xylene?
1-chloro-2-methylbenzene;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;2,4-dichloro-1-methylbenzene;1-fluoro-3-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;3-methylphenol;4-methylphenol;3-methylpyridine;4-methylpyridine;1-methyl-3-(trifluoromethyl)benzene;toluene;N,N,4-trimethylaniline;1,2-xylene;1,3-xylene;1,4-xylene has a molecular weight of 2003.78 g/mol, XLogP of 37.55, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-methylbenzene;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;2,4-dichloro-1-methylbenzene;1-fluoro-3-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;3-methylphenol;4-methylphenol;3-methylpyridine;4-methylpyridine;1-methyl-3-(trifluoromethyl)benzene;toluene;N,N,4-trimethylaniline;1,2-xylene;1,3-xylene;1,4-xylene is sourced from PubChem (CID 160731554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).