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155134-38-6 | 1H-Indole-3-carboxylic acid, 7-(trifluoromethyl)-, methyl ester
CAS No: 155134-38-6 Catalog No: AG001NMR MDL No:
Product Description
Catalog Number:
AG001NMR
Chemical Name:
1H-Indole-3-carboxylic acid, 7-(trifluoromethyl)-, methyl ester
CAS Number:
155134-38-6
Molecular Formula:
C11H8F3NO2
Molecular Weight:
243.1819
IUPAC Name:
methyl 7-(trifluoromethyl)-1H-indole-3-carboxylate
InChI:
InChI=1S/C11H8F3NO2/c1-17-10(16)7-5-15-9-6(7)3-2-4-8(9)11(12,13)14/h2-5,15H,1H3
InChI Key:
AGBQKKMHXAYNCD-UHFFFAOYSA-N
SMILES:
COC(=O)c1c[nH]c2c1cccc2C(F)(F)F
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.051g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.185g/mol
Monoisotopic Mass:
243.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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