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Home Nitros 2-Amino-3-nitrobenzoic acid

2-Amino-3-nitrobenzoic acid

CAS No.:
606-18-8
Catalog Number:
AG003332
Molecular Formula:
C7H6N2O4
Molecular Weight:
182.1335
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$13
- +
10g
95%
In Stock USA
United States
$18
- +
25g
95%
In Stock USA
United States
$42
- +
Product Description
Catalog Number:
AG003332
Chemical Name:
2-Amino-3-nitrobenzoic acid
CAS Number:
606-18-8
Molecular Formula:
C7H6N2O4
Molecular Weight:
182.1335
MDL Number:
MFCD00024261
IUPAC Name:
2-amino-3-nitrobenzoic acid
InChI:
InChI=1S/C7H6N2O4/c8-6-4(7(10)11)2-1-3-5(6)9(12)13/h1-3H,8H2,(H,10,11)
InChI Key:
JJPIVRWTAGQTPQ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1N)N(=O)=O
NSC Number:
1162
Properties
Complexity:
225  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.033g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
182.135g/mol
Monoisotopic Mass:
182.033g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Literature
Title Journal
2-Amino-3-nitro-benzoic acid. Acta crystallographica. Section E, Structure reports online 20120201
(2-Amino-3-nitro-benzoato-κO)triphenyl-tin(IV). Acta crystallographica. Section E, Structure reports online 20110501
Properties