Name: Name:2-oxo-1-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-1,3-benzodiazole-5-carboxylic acid
Brand: Angene
SKU: AG01A0II
Rating: 90 (10 reviews)

2-oxo-1-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-1,3-benzodiazole-5-carboxylic acid

CAS No.:

1019342-70-1

Catalog Number:

AG01A0II

Molecular Formula:

C10H7F3N2O3

Molecular Weight:

260.1694

Catalog Number:

AG01A0II

Chemical Name:

2-oxo-1-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-1,3-benzodiazole-5-carboxylic acid

CAS Number:

1019342-70-1

Molecular Formula:

C10H7F3N2O3

Molecular Weight:

260.1694

MDL Number:

MFCD11523455

IUPAC Name:

2-oxo-1-(2,2,2-trifluoroethyl)-3H-benzimidazole-5-carboxylic acid

InChI:

InChI=1S/C10H7F3N2O3/c11-10(12,13)4-15-7-2-1-5(8(16)17)3-6(7)14-9(15)18/h1-3H,4H2,(H,14,18)(H,16,17)

InChI Key:

YFGQCLMSIGFFQI-UHFFFAOYSA-N

SMILES:

OC(=O)c1ccc2c(c1)[nH]c(=O)n2CC(F)(F)F

Complexity:

372

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

260.041g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

260.172g/mol

Monoisotopic Mass:

260.041g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

69.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4