1-bromo-3-chloro-5-methylbenzene;4-bromo-1-fluoro-2-methylbenzene

C14H12Br2ClF — CID 142310411

IUPAC1-bromo-3-chloro-5-methylbenzene;4-bromo-1-fluoro-2-methylbenzene
SMILESCc1cc(Br)ccc1F.Cc1cc(Cl)cc(Br)c1
InChIInChI=1S/C7H6BrCl.C7H6BrF/c1-5-2-6(8)4-7(9)3-5;1-5-4-6(8)2-3-7(5)9/h2*2-4H,1H3
InChIKeyWNESIMVEWWRCPB-UHFFFAOYSA-N
MW394.51 g/mol
LogP6.31
Rot. Bonds

About 1-bromo-3-chloro-5-methylbenzene;4-bromo-1-fluoro-2-methylbenzene

1-bromo-3-chloro-5-methylbenzene;4-bromo-1-fluoro-2-methylbenzene (PubChem CID 142310411) has the molecular formula C14H12Br2ClF and a molecular weight of 394.51 g/mol. Its IUPAC name is 1-bromo-3-chloro-5-methylbenzene;4-bromo-1-fluoro-2-methylbenzene.

Molecular Properties

Compound Name1-bromo-3-chloro-5-methylbenzene;4-bromo-1-fluoro-2-methylbenzene
PubChem CID142310411
Molecular FormulaC14H12Br2ClF
Molecular Weight394.51 g/mol
Exact Mass391.90
IUPAC Name1-bromo-3-chloro-5-methylbenzene;4-bromo-1-fluoro-2-methylbenzene
SMILESCc1cc(Br)ccc1F.Cc1cc(Cl)cc(Br)c1
InChIInChI=1S/C7H6BrCl.C7H6BrF/c1-5-2-6(8)4-7(9)3-5;1-5-4-6(8)2-3-7(5)9/h2*2-4H,1H3
InChIKeyWNESIMVEWWRCPB-UHFFFAOYSA-N
XLogP6.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.51
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-bromo-1-fluoro-2-methylbenzene;4-bromo-2-fluoro-1-methylbenzene
CID 160825147
[(3-bromo-5-chlorophenyl)-(4-fluoro-3-methylphenyl)methyl]hydrazine
CID 107948189
(5-bromo-2-fluorophenyl)-(3-chloro-5-methylphenyl)methanamine
CID 105011988
4-bromo-1,2-difluorobenzene;5-bromo-1,2-difluoro-3-methylbenzene
CID 160943095
4-bromo-1-[bromo-(4-fluoro-3-methylphenyl)methyl]-2-methylbenzene
CID 79747238
1-[(3-bromo-5-chlorophenyl)-chloromethyl]-2,5-difluoro-4-methylbenzene
CID 107959015
(3,5-dibromophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 107978317
ethane;1-fluoro-2,4-dimethylbenzene
CID 123541236
2-bromo-4-[bromo-(4-fluoro-3-methylphenyl)methyl]-1-chlorobenzene
CID 114024957
5-[bromo-(3-chloro-5-methylphenyl)methyl]-2-fluoro-1,3-dimethylbenzene
CID 81324231
2,7-dibromo-9,10-bis(2,4,6-trimethylphenyl)anthracene
CID 122211762
(3-bromo-5-chlorophenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 114019265

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-chloro-5-methylbenzene;4-bromo-1-fluoro-2-methylbenzene?
The IUPAC name of 1-bromo-3-chloro-5-methylbenzene;4-bromo-1-fluoro-2-methylbenzene (CID 142310411) is 1-bromo-3-chloro-5-methylbenzene;4-bromo-1-fluoro-2-methylbenzene.
What is the SMILES notation for 1-bromo-3-chloro-5-methylbenzene;4-bromo-1-fluoro-2-methylbenzene?
The canonical SMILES for 1-bromo-3-chloro-5-methylbenzene;4-bromo-1-fluoro-2-methylbenzene is Cc1cc(Br)ccc1F.Cc1cc(Cl)cc(Br)c1.
What is the InChIKey of 1-bromo-3-chloro-5-methylbenzene;4-bromo-1-fluoro-2-methylbenzene?
The InChIKey is WNESIMVEWWRCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrCl.C7H6BrF/c1-5-2-6(8)4-7(9)3-5;1-5-4-6(8)2-3-7(5)9/h2*2-4H,1H3.
What are the key properties of 1-bromo-3-chloro-5-methylbenzene;4-bromo-1-fluoro-2-methylbenzene?
1-bromo-3-chloro-5-methylbenzene;4-bromo-1-fluoro-2-methylbenzene has a molecular weight of 394.51 g/mol, XLogP of 6.31, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-chloro-5-methylbenzene;4-bromo-1-fluoro-2-methylbenzene is sourced from PubChem (CID 142310411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).