Name: Name:5-(4-broMo-2-chlorophenylaMino)-4-fluoro-1-Methyl-1H-benzo[d]iMidazole-6-carboxylic acid
Brand: Angene
SKU: AG00ECCJ
Rating: 90 (10 reviews)

5-(4-broMo-2-chlorophenylaMino)-4-fluoro-1-Methyl-1H-benzo[d]iMidazole-6-carboxylic acid

CAS No.:

606144-04-1

Catalog Number:

AG00ECCJ

Molecular Formula:

C15H10BrClFN3O2

Molecular Weight:

398.6142

Catalog Number:

AG00ECCJ

Chemical Name:

5-(4-broMo-2-chlorophenylaMino)-4-fluoro-1-Methyl-1H-benzo[d]iMidazole-6-carboxylic acid

CAS Number:

606144-04-1

Molecular Formula:

C15H10BrClFN3O2

Molecular Weight:

398.6142

MDL Number:

MFCD09953722

IUPAC Name:

6-(4-bromo-2-chloroanilino)-7-fluoro-3-methylbenzimidazole-5-carboxylic acid

InChI:

InChI=1S/C15H10BrClFN3O2/c1-21-6-19-14-11(21)5-8(15(22)23)13(12(14)18)20-10-3-2-7(16)4-9(10)17/h2-6,20H,1H3,(H,22,23)

InChI Key:

XAAPQRFIXGDKPZ-UHFFFAOYSA-N

SMILES:

Brc1ccc(c(c1)Cl)Nc1c(cc2c(c1F)ncn2C)C(=O)O

Complexity:

460

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

396.963g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

398.616g/mol

Monoisotopic Mass:

396.963g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

67.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.5