Name: Name:2-(difluoromethyl)-1-methyl-1H-1,3-benzodiazole-5-carboxylic acid
Brand: Angene
SKU: AG01BHJ5
Rating: 90 (10 reviews)

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

CAS No.:

1339147-00-0

Catalog Number:

AG01BHJ5

Molecular Formula:

C10H8F2N2O2

Molecular Weight:

226.1795

Catalog Number:

AG01BHJ5

Chemical Name:

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

CAS Number:

1339147-00-0

Molecular Formula:

C10H8F2N2O2

Molecular Weight:

226.1795

MDL Number:

MFCD19601492

IUPAC Name:

2-(difluoromethyl)-1-methylbenzimidazole-5-carboxylic acid

InChI:

InChI=1S/C10H8F2N2O2/c1-14-7-3-2-5(10(15)16)4-6(7)13-9(14)8(11)12/h2-4,8H,1H3,(H,15,16)

InChI Key:

HRZJHNXUTLDVKP-UHFFFAOYSA-N

SMILES:

FC(c1nc2c(n1C)ccc(c2)C(=O)O)F

Complexity:

288

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

226.055g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

226.183g/mol

Monoisotopic Mass:

226.055g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6