Name: Name:1-[(2-methoxyphenyl)methyl]-1H-1,3-benzodiazole-5-carboxylic acid
Brand: Angene
SKU: AG01B21W
Rating: 90 (10 reviews)

1-[(2-methoxyphenyl)methyl]-1H-1,3-benzodiazole-5-carboxylic acid

CAS No.:

1153977-49-1

Catalog Number:

AG01B21W

Molecular Formula:

C16H14N2O3

Molecular Weight:

282.2940

Catalog Number:

AG01B21W

Chemical Name:

1-[(2-methoxyphenyl)methyl]-1H-1,3-benzodiazole-5-carboxylic acid

CAS Number:

1153977-49-1

Molecular Formula:

C16H14N2O3

Molecular Weight:

282.2940

MDL Number:

MFCD13729623

IUPAC Name:

1-[(2-methoxyphenyl)methyl]benzimidazole-5-carboxylic acid

InChI:

InChI=1S/C16H14N2O3/c1-21-15-5-3-2-4-12(15)9-18-10-17-13-8-11(16(19)20)6-7-14(13)18/h2-8,10H,9H2,1H3,(H,19,20)

InChI Key:

BJCHPYIMIIMELR-UHFFFAOYSA-N

SMILES:

COc1ccccc1Cn1cnc2c1ccc(c2)C(=O)O

Complexity:

377

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

282.1g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

282.299g/mol

Monoisotopic Mass:

282.1g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

64.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5