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Home Nitros 3-Amino-5-nitrobenzoic acid

3-Amino-5-nitrobenzoic acid

CAS No.:
618-84-8
Catalog Number:
AG00E8XK
Molecular Formula:
C7H6N2O4
Molecular Weight:
182.1335
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$47
- +
5g
95%
In Stock USA
United States
$164
- +
25g
95%
In Stock USA
United States
$734
- +
Product Description
Catalog Number:
AG00E8XK
Chemical Name:
3-Amino-5-nitrobenzoic acid
CAS Number:
618-84-8
Molecular Formula:
C7H6N2O4
Molecular Weight:
182.1335
MDL Number:
MFCD00017025
IUPAC Name:
3-amino-5-nitrobenzoic acid
InChI:
InChI=1S/C7H6N2O4/c8-5-1-4(7(10)11)2-6(3-5)9(12)13/h1-3H,8H2,(H,10,11)
InChI Key:
ZNVHAQRPXAQKRU-UHFFFAOYSA-N
SMILES:
Nc1cc(cc(c1)C(=O)O)[N+](=O)[O-]
NSC Number:
44297
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  
Literature
Title Journal
2-{[2,8-Bis(trifluoro-meth-yl)quinolin-4-yl](hy-droxy)meth-yl}piperidin-1-ium 3-amino-5-nitro-benzoate sesquihydrate. Acta crystallographica. Section E, Structure reports online 20111101
Properties