Name: Name:1H-Indole-2-carboxylic acid, 3-methyl-5-(trifluoromethyl)-
Brand: Angene
SKU: AG00IDO7
Rating: 90 (10 reviews)

1H-Indole-2-carboxylic acid, 3-methyl-5-(trifluoromethyl)-

CAS No.:

854531-37-6

Catalog Number:

AG00IDO7

Molecular Formula:

C11H8F3NO2

Molecular Weight:

243.1819

Catalog Number:

AG00IDO7

Chemical Name:

1H-Indole-2-carboxylic acid, 3-methyl-5-(trifluoromethyl)-

CAS Number:

854531-37-6

Molecular Formula:

C11H8F3NO2

Molecular Weight:

243.1819

MDL Number:

MFCD20229271

IUPAC Name:

3-methyl-5-(trifluoromethyl)-1H-indole-2-carboxylic acid

InChI:

InChI=1S/C11H8F3NO2/c1-5-7-4-6(11(12,13)14)2-3-8(7)15-9(5)10(16)17/h2-4,15H,1H3,(H,16,17)

InChI Key:

LECJPQOXBUBLQP-UHFFFAOYSA-N

SMILES:

OC(=O)c1[nH]c2c(c1C)cc(cc2)C(F)(F)F

Complexity:

318

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

243.051g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

243.185g/mol

Monoisotopic Mass:

243.051g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

53.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.2