Name: Name:3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxylic acid
Brand: Angene
SKU: AG00HYSK
Rating: 90 (10 reviews)

3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxylic acid

CAS No.:

162848-24-0

Catalog Number:

AG00HYSK

Molecular Formula:

C9H6N4O4

Molecular Weight:

234.1683

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Product Description

Catalog Number:

AG00HYSK

Chemical Name:

3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxylic acid

CAS Number:

162848-24-0

Molecular Formula:

C9H6N4O4

Molecular Weight:

234.1683

MDL Number:

MFCD00141985

IUPAC Name:

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

InChI:

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

InChI Key:

ZVCHVNGMLDMGIN-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)c1cc(ccc1n1cncn1)C(=O)O

Properties

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:

Literature

Title	Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

Properties