Home Nitros 3-Amino-4-nitrobenzoic acid

3-Amino-4-nitrobenzoic acid

CAS No.:
6968-22-5
Catalog Number:
AG005J6B
Molecular Formula:
C7H6N2O4
Molecular Weight:
182.1335
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$107
- +
5g
95%
In Stock USA
United States
$319
- +
Product Description
Catalog Number:
AG005J6B
Chemical Name:
3-Amino-4-nitrobenzoic acid
CAS Number:
6968-22-5
Molecular Formula:
C7H6N2O4
Molecular Weight:
182.1335
MDL Number:
MFCD01806270
IUPAC Name:
3-amino-4-nitrobenzoic acid
InChI:
InChI=1S/C7H6N2O4/c8-5-3-4(7(10)11)1-2-6(5)9(12)13/h1-3H,8H2,(H,10,11)
InChI Key:
LYCCVBLUKJRDOF-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)N)[N+](=O)[O-]
NSC Number:
20672
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:
1.7  
Properties