Name: Name:1H-Indole-2-carboxylic acid, 1-methyl-5-(trifluoromethyl)-
Brand: Angene
SKU: AG000OIL
Rating: 90 (10 reviews)

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

CAS No.:

1257092-36-6

Catalog Number:

AG000OIL

Molecular Formula:

C11H8F3NO2

Molecular Weight:

243.1819

Catalog Number:

AG000OIL

Chemical Name:

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

CAS Number:

1257092-36-6

Molecular Formula:

C11H8F3NO2

Molecular Weight:

243.1819

MDL Number:

MFCD18839099

IUPAC Name:

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

InChI:

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

InChI Key:

BJHNBAXVLXMLIM-UHFFFAOYSA-N

SMILES:

OC(=O)c1cc2c(n1C)ccc(c2)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:

42.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9