About 1-bromo-3-(trifluoromethyl)benzene;cis-(1S,2R)-1,2-diethylcyclohexane;1-(1H-indazol-5-yl)ethanone;1-(3-methylphenyl)indazole-5-carboxylic acid;1-[1-(3-methylphenyl)indazol-5-yl]ethanone;2-[3-(trifluoromethyl)phenyl]indazole-5-carboxylic acid;1-[2-[3-(trifluoromethyl)phenyl]indazol-5-yl]ethanone
1-bromo-3-(trifluoromethyl)benzene;cis-(1S,2R)-1,2-diethylcyclohexane;1-(1H-indazol-5-yl)ethanone;1-(3-methylphenyl)indazole-5-carboxylic acid;1-[1-(3-methylphenyl)indazol-5-yl]ethanone;2-[3-(trifluoromethyl)phenyl]indazole-5-carboxylic acid;1-[2-[3-(trifluoromethyl)phenyl]indazol-5-yl]ethanone (PubChem CID 159635140) has the molecular formula C88H78BrF9N10O7
and a molecular weight of 1638.54 g/mol. Its IUPAC name is 1-bromo-3-(trifluoromethyl)benzene;cis-(1S,2R)-1,2-diethylcyclohexane;1-(1H-indazol-5-yl)ethanone;1-(3-methylphenyl)indazole-5-carboxylic acid;1-[1-(3-methylphenyl)indazol-5-yl]ethanone;2-[3-(trifluoromethyl)phenyl]indazole-5-carboxylic acid;1-[2-[3-(trifluoromethyl)phenyl]indazol-5-yl]ethanone.
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Frequently Asked Questions
What is the IUPAC name of 1-bromo-3-(trifluoromethyl)benzene;cis-(1S,2R)-1,2-diethylcyclohexane;1-(1H-indazol-5-yl)ethanone;1-(3-methylphenyl)indazole-5-carboxylic acid;1-[1-(3-methylphenyl)indazol-5-yl]ethanone;2-[3-(trifluoromethyl)phenyl]indazole-5-carboxylic acid;1-[2-[3-(trifluoromethyl)phenyl]indazol-5-yl]ethanone?
The IUPAC name of 1-bromo-3-(trifluoromethyl)benzene;cis-(1S,2R)-1,2-diethylcyclohexane;1-(1H-indazol-5-yl)ethanone;1-(3-methylphenyl)indazole-5-carboxylic acid;1-[1-(3-methylphenyl)indazol-5-yl]ethanone;2-[3-(trifluoromethyl)phenyl]indazole-5-carboxylic acid;1-[2-[3-(trifluoromethyl)phenyl]indazol-5-yl]ethanone (CID 159635140) is 1-bromo-3-(trifluoromethyl)benzene;cis-(1S,2R)-1,2-diethylcyclohexane;1-(1H-indazol-5-yl)ethanone;1-(3-methylphenyl)indazole-5-carboxylic acid;1-[1-(3-methylphenyl)indazol-5-yl]ethanone;2-[3-(trifluoromethyl)phenyl]indazole-5-carboxylic acid;1-[2-[3-(trifluoromethyl)phenyl]indazol-5-yl]ethanone.
What is the SMILES notation for 1-bromo-3-(trifluoromethyl)benzene;cis-(1S,2R)-1,2-diethylcyclohexane;1-(1H-indazol-5-yl)ethanone;1-(3-methylphenyl)indazole-5-carboxylic acid;1-[1-(3-methylphenyl)indazol-5-yl]ethanone;2-[3-(trifluoromethyl)phenyl]indazole-5-carboxylic acid;1-[2-[3-(trifluoromethyl)phenyl]indazol-5-yl]ethanone?
The canonical SMILES for 1-bromo-3-(trifluoromethyl)benzene;cis-(1S,2R)-1,2-diethylcyclohexane;1-(1H-indazol-5-yl)ethanone;1-(3-methylphenyl)indazole-5-carboxylic acid;1-[1-(3-methylphenyl)indazol-5-yl]ethanone;2-[3-(trifluoromethyl)phenyl]indazole-5-carboxylic acid;1-[2-[3-(trifluoromethyl)phenyl]indazol-5-yl]ethanone is CC(=O)c1ccc2[nH]ncc2c1.CC(=O)c1ccc2c(cnn2-c2cccc(C)c2)c1.CC(=O)c1ccc2nn(-c3cccc(C(F)(F)F)c3)cc2c1.CC[C@@H]1CCCC[C@@H]1CC.Cc1cccc(-n2ncc3cc(C(=O)O)ccc32)c1.FC(F)(F)c1cccc(Br)c1.O=C(O)c1ccc2nn(-c3cccc(C(F)(F)F)c3)cc2c1.
What is the InChIKey of 1-bromo-3-(trifluoromethyl)benzene;cis-(1S,2R)-1,2-diethylcyclohexane;1-(1H-indazol-5-yl)ethanone;1-(3-methylphenyl)indazole-5-carboxylic acid;1-[1-(3-methylphenyl)indazol-5-yl]ethanone;2-[3-(trifluoromethyl)phenyl]indazole-5-carboxylic acid;1-[2-[3-(trifluoromethyl)phenyl]indazol-5-yl]ethanone?
The InChIKey is MPQIMEYOQQRZSQ-DYLOLZFBSA-N. The full InChI is InChI=1S/C16H11F3N2O.C16H14N2O.C15H9F3N2O2.C15H12N2O2.C10H20.C9H8N2O.C7H4BrF3/c1-10(22)11-5-6-15-12(7-11)9-21(20-15)14-4-2-3-13(8-14)16(17,18)19;1-11-4-3-5-15(8-11)18-16-7-6-13(12(2)19)9-14(16)10-17-18;16-15(17,18)11-2-1-3-12(7-11)20-8-10-6-9(14(21)22)4-5-13(10)19-20;1-10-3-2-4-13(7-10)17-14-6-5-11(15(18)19)8-12(14)9-16-17;1-3-9-7-5-6-8-10(9)4-2;1-6(12)7-2-3-9-8(4-7)5-10-11-9;8-6-3-1-2-5(4-6)7(9,10)11/h2-9H,1H3;3-10H,1-2H3;1-8H,(H,21,22);2-9H,1H3,(H,18,19);9-10H,3-8H2,1-2H3;2-5H,1H3,(H,10,11);1-4H/t;;;;9-,10+;;.
What are the key properties of 1-bromo-3-(trifluoromethyl)benzene;cis-(1S,2R)-1,2-diethylcyclohexane;1-(1H-indazol-5-yl)ethanone;1-(3-methylphenyl)indazole-5-carboxylic acid;1-[1-(3-methylphenyl)indazol-5-yl]ethanone;2-[3-(trifluoromethyl)phenyl]indazole-5-carboxylic acid;1-[2-[3-(trifluoromethyl)phenyl]indazol-5-yl]ethanone?
1-bromo-3-(trifluoromethyl)benzene;cis-(1S,2R)-1,2-diethylcyclohexane;1-(1H-indazol-5-yl)ethanone;1-(3-methylphenyl)indazole-5-carboxylic acid;1-[1-(3-methylphenyl)indazol-5-yl]ethanone;2-[3-(trifluoromethyl)phenyl]indazole-5-carboxylic acid;1-[2-[3-(trifluoromethyl)phenyl]indazol-5-yl]ethanone has a molecular weight of 1638.54 g/mol, XLogP of 23.40, 11 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(trifluoromethyl)benzene;cis-(1S,2R)-1,2-diethylcyclohexane;1-(1H-indazol-5-yl)ethanone;1-(3-methylphenyl)indazole-5-carboxylic acid;1-[1-(3-methylphenyl)indazol-5-yl]ethanone;2-[3-(trifluoromethyl)phenyl]indazole-5-carboxylic acid;1-[2-[3-(trifluoromethyl)phenyl]indazol-5-yl]ethanone is sourced from PubChem (CID 159635140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).