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

4-(Methylamino)-3-nitrobenzoic acid

CAS No.:
41263-74-5
Catalog Number:
AG003K8Z
Molecular Formula:
C8H8N2O4
Molecular Weight:
196.1601
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$15
- +
25g
98%
In Stock USA
United States
$57
- +
100g
98%
In Stock USA
United States
$175
- +
Product Description
Catalog Number:
AG003K8Z
Chemical Name:
4-(Methylamino)-3-nitrobenzoic acid
CAS Number:
41263-74-5
Molecular Formula:
C8H8N2O4
Molecular Weight:
196.1601
MDL Number:
MFCD00464322
IUPAC Name:
4-(methylamino)-3-nitrobenzoic acid
InChI:
InChI=1S/C8H8N2O4/c1-9-6-3-2-5(8(11)12)4-7(6)10(13)14/h2-4,9H,1H3,(H,11,12)
InChI Key:
KSMLIIWEQBYUKA-UHFFFAOYSA-N
SMILES:
CNc1ccc(cc1[N+](=O)[O-])C(=O)O
EC Number:
609-904-5
NSC Number:
138300
Properties
Complexity:
238  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.048g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
196.162g/mol
Monoisotopic Mass:
196.048g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
95.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
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