Name: Name:3-methyl-4-(1H-1,2,4-triazol-1-yl)benzoic acid
Brand: Angene
SKU: AG019S3O
Rating: 90 (10 reviews)

3-methyl-4-(1H-1,2,4-triazol-1-yl)benzoic acid

CAS No.:

167626-57-5

Catalog Number:

AG019S3O

Molecular Formula:

C10H9N3O2

Molecular Weight:

203.1974

Catalog Number:

AG019S3O

Chemical Name:

3-methyl-4-(1H-1,2,4-triazol-1-yl)benzoic acid

CAS Number:

167626-57-5

Molecular Formula:

C10H9N3O2

Molecular Weight:

203.1974

MDL Number:

MFCD16840940

IUPAC Name:

3-methyl-4-(1,2,4-triazol-1-yl)benzoic acid

InChI:

InChI=1S/C10H9N3O2/c1-7-4-8(10(14)15)2-3-9(7)13-6-11-5-12-13/h2-6H,1H3,(H,14,15)

InChI Key:

YUXYIVAMDIVYBL-UHFFFAOYSA-N

SMILES:

Cc1cc(ccc1n1cncn1)C(=O)O

Complexity:

247

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

203.069g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

203.201g/mol

Monoisotopic Mass:

203.069g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6