Name: Name:2-(TRIFLUOROMETHYL)-4,5,6,7-TETRAHYDRO-1H-1,3-BENZODIAZOLE-5-CARBOXYLIC A+
Brand: Angene
SKU: AG01EKBX
Rating: 90 (10 reviews)

2-(TRIFLUOROMETHYL)-4,5,6,7-TETRAHYDRO-1H-1,3-BENZODIAZOLE-5-CARBOXYLIC A+

CAS No.:

1472029-11-0

Catalog Number:

AG01EKBX

Molecular Formula:

C9H9F3N2O2

Molecular Weight:

234.1752

Catalog Number:

AG01EKBX

Chemical Name:

2-(TRIFLUOROMETHYL)-4,5,6,7-TETRAHYDRO-1H-1,3-BENZODIAZOLE-5-CARBOXYLIC A+

CAS Number:

1472029-11-0

Molecular Formula:

C9H9F3N2O2

Molecular Weight:

234.1752

MDL Number:

MFCD24267800

IUPAC Name:

2-(trifluoromethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxylic acid

InChI:

InChI=1S/C9H9F3N2O2/c10-9(11,12)8-13-5-2-1-4(7(15)16)3-6(5)14-8/h4H,1-3H2,(H,13,14)(H,15,16)

InChI Key:

LJNVRIOGWAZYJL-UHFFFAOYSA-N

SMILES:

OC(=O)C1CCc2c(C1)nc([nH]2)C(F)(F)F

Complexity:

295

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

234.062g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

234.178g/mol

Monoisotopic Mass:

234.062g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2