Name: Name:sodium 1-methyl-3-phenyl-1H-1,2,4-triazole-5-carboxylate
Brand: Angene
SKU: AG01BHER
Rating: 90 (10 reviews)

sodium 1-methyl-3-phenyl-1H-1,2,4-triazole-5-carboxylate

CAS No.:

1803588-52-4

Catalog Number:

AG01BHER

Molecular Formula:

C10H8N3NaO2

Molecular Weight:

225.1792

Catalog Number:

AG01BHER

Chemical Name:

sodium 1-methyl-3-phenyl-1H-1,2,4-triazole-5-carboxylate

CAS Number:

1803588-52-4

Molecular Formula:

C10H8N3NaO2

Molecular Weight:

225.1792

MDL Number:

MFCD28139611

IUPAC Name:

sodium;2-methyl-5-phenyl-1,2,4-triazole-3-carboxylate

InChI:

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

InChI Key:

MZDGEPUYPLILQO-UHFFFAOYSA-M

SMILES:

[O-]C(=O)c1nc(nn1C)c1ccccc1.[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: