Name: Name:sodium 5-methyl-2-(4H-1,2,4-triazol-4-yl)benzoate
Brand: Angene
SKU: AG01AG81
Rating: 90 (10 reviews)

sodium 5-methyl-2-(4H-1,2,4-triazol-4-yl)benzoate

CAS No.:

1796952-73-2

Catalog Number:

AG01AG81

Molecular Formula:

C10H8N3NaO2

Molecular Weight:

225.1792

Catalog Number:

AG01AG81

Chemical Name:

sodium 5-methyl-2-(4H-1,2,4-triazol-4-yl)benzoate

CAS Number:

1796952-73-2

Molecular Formula:

C10H8N3NaO2

Molecular Weight:

225.1792

MDL Number:

MFCD27959384

IUPAC Name:

sodium;5-methyl-2-(1,2,4-triazol-4-yl)benzoate

InChI:

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

InChI Key:

POMFNJVQNDULTD-UHFFFAOYSA-M

SMILES:

Cc1ccc(c(c1)C(=O)[O-])n1cnnc1.[Na+]

Complexity:

246

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

225.051g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

225.183g/mol

Monoisotopic Mass:

225.051g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

70.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count: