Home Aminos 4-(cyclopropylamino)-3-nitrobenzoic acid

4-(cyclopropylamino)-3-nitrobenzoic acid

CAS No.:
291528-35-3
Catalog Number:
AG019JG8
Molecular Formula:
C10H10N2O4
Molecular Weight:
222.1974
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Product Description
Catalog Number:
AG019JG8
Chemical Name:
4-(cyclopropylamino)-3-nitrobenzoic acid
CAS Number:
291528-35-3
Molecular Formula:
C10H10N2O4
Molecular Weight:
222.1974
MDL Number:
MFCD05270834
IUPAC Name:
4-(cyclopropylamino)-3-nitrobenzoic acid
InChI:
InChI=1S/C10H10N2O4/c13-10(14)6-1-4-8(11-7-2-3-7)9(5-6)12(15)16/h1,4-5,7,11H,2-3H2,(H,13,14)
InChI Key:
IKTICLQCJRBVRS-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1NC1CC1)C(=O)O
Properties
Complexity:
298  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.064g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
222.2g/mol
Monoisotopic Mass:
222.064g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
95.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Literature
Title Journal
3-Nitro-4-amino benzoic acids and 6-amino nicotinic acids are highly selective agonists of GPR109b. Bioorganic & medicinal chemistry letters 20071201
Properties