CAS 1588-83-6 | Benzoic acid, 4-amino-3-nitro- | CAS Number 1588-83-6

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1588-83-6 | Benzoic acid, 4-amino-3-nitro-

CAS No: 1588-83-6 Catalog No: AG001QVS MDL No:MFCD00017009

Product Description

Catalog Number:

AG001QVS

Chemical Name:

Benzoic acid, 4-amino-3-nitro-

CAS Number:

1588-83-6

Molecular Formula:

C7H6N2O4

Molecular Weight:

182.1335

MDL Number:

MFCD00017009

IUPAC Name:

4-amino-3-nitrobenzoic acid

InChI:

InChI=1S/C7H6N2O4/c8-5-2-1-4(7(10)11)3-6(5)9(12)13/h1-3H,8H2,(H,10,11)

InChI Key:

ZZNAYFWAXZJITH-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)c1cc(ccc1N)C(=O)O

EC Number:

216-453-4

NSC Number:

20673

Properties

Complexity:

225

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

182.033g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

182.135g/mol

Monoisotopic Mass:

182.033g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

109A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.7

Literature

Title	Journal
Bis(μ(2)-4-amino-3-nitro-benzoato)bis-(4-amino-3-nitro-benzoato)octa-butyldi-μ(3)-oxido-tetra-tin(IV).	Acta crystallographica. Section E, Structure reports online 20101101
Functionalization of chitosan with 3-nitro-4-amino benzoic acid moiety and its application to the collection/concentration of molybdenum in environmental water samples.	Talanta 20071031
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