Name: Name:4-(1-methyl-1H-1,2,4-triazol-3-yl)benzoic acid
Brand: Angene
SKU: AG01A52Q
Rating: 90 (10 reviews)

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

CAS No.:

1443981-85-8

Catalog Number:

AG01A52Q

Molecular Formula:

C10H9N3O2

Molecular Weight:

203.1974

Catalog Number:

AG01A52Q

Chemical Name:

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

CAS Number:

1443981-85-8

Molecular Formula:

C10H9N3O2

Molecular Weight:

203.1974

MDL Number:

MFCD24842782

IUPAC Name:

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

InChI:

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

InChI Key:

HBJHBZNXCOTWIO-UHFFFAOYSA-N

SMILES:

Cn1cnc(n1)c1ccc(cc1)C(=O)O

Complexity:

239

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:

1.2