Name: Name:Benzoic acid, 3-(1H-1,2,4-triazol-1-yl)-, methyl ester
Brand: Angene
SKU: AG001XHC
Rating: 90 (10 reviews)

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

CAS No.:

167626-27-9

Catalog Number:

AG001XHC

Molecular Formula:

C10H9N3O2

Molecular Weight:

203.1974

Catalog Number:

AG001XHC

Chemical Name:

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

CAS Number:

167626-27-9

Molecular Formula:

C10H9N3O2

Molecular Weight:

203.1974

MDL Number:

MFCD11223482

IUPAC Name:

methyl 3-(1,2,4-triazol-1-yl)benzoate

InChI:

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

InChI Key:

NKGYSGGAEUCELQ-UHFFFAOYSA-N

SMILES:

COC(=O)c1cccc(c1)n1ncnc1

Complexity:

235

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:

57A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5