Name: Name:2-(difluoromethyl)-1H-1,3-benzodiazole-5-carboxylic acid
Brand: Angene
SKU: AG01A9YP
Rating: 90 (10 reviews)

2-(difluoromethyl)-1H-1,3-benzodiazole-5-carboxylic acid

CAS No.:

1097804-95-9

Catalog Number:

AG01A9YP

Molecular Formula:

C9H6F2N2O2

Molecular Weight:

212.1529

Catalog Number:

AG01A9YP

Chemical Name:

2-(difluoromethyl)-1H-1,3-benzodiazole-5-carboxylic acid

CAS Number:

1097804-95-9

Molecular Formula:

C9H6F2N2O2

Molecular Weight:

212.1529

MDL Number:

MFCD11645380

IUPAC Name:

2-(difluoromethyl)-3H-benzimidazole-5-carboxylic acid

InChI:

InChI=1S/C9H6F2N2O2/c10-7(11)8-12-5-2-1-4(9(14)15)3-6(5)13-8/h1-3,7H,(H,12,13)(H,14,15)

InChI Key:

KMNBJTKSHJADAJ-UHFFFAOYSA-N

SMILES:

FC(c1[nH]c2c(n1)cc(cc2)C(=O)O)F

Complexity:

263

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

212.04g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

212.156g/mol

Monoisotopic Mass:

212.04g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1