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

3-(Methylamino)-4-nitrobenzoic acid

CAS No.:
214778-10-6
Catalog Number:
AG007QC2
Molecular Formula:
C8H8N2O4
Molecular Weight:
196.1601
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$169
- +
5g
98%
In Stock USA
United States
$675
- +
Product Description
Catalog Number:
AG007QC2
Chemical Name:
3-(Methylamino)-4-nitrobenzoic acid
CAS Number:
214778-10-6
Molecular Formula:
C8H8N2O4
Molecular Weight:
196.1601
MDL Number:
MFCD18826011
IUPAC Name:
3-(methylamino)-4-nitrobenzoic acid
InChI:
InChI=1S/C8H8N2O4/c1-9-6-4-5(8(11)12)2-3-7(6)10(13)14/h2-4,9H,1H3,(H,11,12)
InChI Key:
QIUGFPYSYODUEE-UHFFFAOYSA-N
SMILES:
CNc1cc(ccc1[N+](=O)[O-])C(=O)O
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:
2.3  
Properties