Name: Name:1-(3-nitrophenyl)-1H-1,2,3-triazole-4-carboxylic acid
Brand: Angene
SKU: AG01AH2E
Rating: 90 (10 reviews)

1-(3-nitrophenyl)-1H-1,2,3-triazole-4-carboxylic acid

CAS No.:

944905-90-2

Catalog Number:

AG01AH2E

Molecular Formula:

C9H6N4O4

Molecular Weight:

234.1683

Catalog Number:

AG01AH2E

Chemical Name:

1-(3-nitrophenyl)-1H-1,2,3-triazole-4-carboxylic acid

CAS Number:

944905-90-2

Molecular Formula:

C9H6N4O4

Molecular Weight:

234.1683

IUPAC Name:

1-(3-nitrophenyl)triazole-4-carboxylic acid

InChI:

InChI=1S/C9H6N4O4/c14-9(15)8-5-12(11-10-8)6-2-1-3-7(4-6)13(16)17/h1-5H,(H,14,15)

InChI Key:

YHUTUVUHTBFLBF-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)c1cccc(c1)n1nnc(c1)C(=O)O

Complexity:

319

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

234.039g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

234.171g/mol

Monoisotopic Mass:

234.039g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

114A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3: