Home Aminos 4-Nitro-3-(propylamino)benzoic acid

4-Nitro-3-(propylamino)benzoic acid

CAS No.:
1400644-69-0
Catalog Number:
AG009WQE
Molecular Formula:
C10H12N2O4
Molecular Weight:
224.2133
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$188
- +
5g
96%
In Stock USA
United States
$750
- +
Product Description
Catalog Number:
AG009WQE
Chemical Name:
4-Nitro-3-(propylamino)benzoic acid
CAS Number:
1400644-69-0
Molecular Formula:
C10H12N2O4
Molecular Weight:
224.2133
MDL Number:
MFCD22421482
IUPAC Name:
4-nitro-3-(propylamino)benzoic acid
InChI:
InChI=1S/C10H12N2O4/c1-2-5-11-8-6-7(10(13)14)3-4-9(8)12(15)16/h3-4,6,11H,2,5H2,1H3,(H,13,14)
InChI Key:
CBDBJRSTTWCHGK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1NCCC)C(=O)O
Properties
Complexity:
264  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.08g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
224.216g/mol
Monoisotopic Mass:
224.08g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
95.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties