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2-Amino-3-nitrobenzamide - ≥95%, high purity , CAS No.313279-12-8

COA

Grade & Purity:

≥95%

Cas Number: 313279-12-8
Molecular Weight: 181.15
PubChem CID: 10797476

In stock

Item Number

A725060

Grouped product items
SKU	Size	Availability	Price	Qty
A725060-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$149.90
A725060-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$677.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives
      - Level5 Benzamides
        Level6 Anthranilamides

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Benzamides
Direct Parent	Anthranilamides
Alternative Parents	2-aminobenzamides Nitrobenzenes Aniline and substituted anilines Benzoyl derivatives Nitroaromatic compounds Vinylogous amides Primary carboxylic acid amides Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic oxides Hydrocarbon derivatives Organic salts Organic zwitterions Organooxygen compounds Primary amines
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Anthranilamide - Aminobenzamide - Aminobenzoic acid or derivatives - 2-aminobenzamide - Nitrobenzene - Nitroaromatic compound - Benzoyl - Aniline or substituted anilines - Vinylogous amide - Amino acid or derivatives - Organic nitro compound - Carboxamide group - C-nitro compound - Primary carboxylic acid amide - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Organic salt - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Primary amine - Organic zwitterion - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as anthranilamides. These are aromatic compound containing a benzene carboxamide moiety that carries an amine group at the 2-position of the benzene ring.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	2-amino-3-nitrobenzamide
INCHI	InChI=1S/C7H7N3O3/c8-6-4(7(9)11)2-1-3-5(6)10(12)13/h1-3H,8H2,(H2,9,11)
InChIKey	RMLPQVFYXZMJES-UHFFFAOYSA-N
Smiles	C1=CC(=C(C(=C1)[N+](=O)[O-])N)C(=O)N
Isomeric SMILES	C1=CC(=C(C(=C1)[N+](=O)[O-])N)C(=O)N
PubChem CID	10797476
Molecular Weight	181.15

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	181.150 g/mol
XLogP3	0.500
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	181.049 Da
Monoisotopic Mass	181.049 Da
Topological Polar Surface Area	115.000 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	226.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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