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

3-(Isopropylamino)-4-nitrobenzoic acid

CAS No.:
761388-52-7
Catalog Number:
AG00G9MZ
Molecular Formula:
C10H12N2O4
Molecular Weight:
224.2133
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$169
- +
5g
97%
In Stock USA
United States
$650
- +
Product Description
Catalog Number:
AG00G9MZ
Chemical Name:
3-(Isopropylamino)-4-nitrobenzoic acid
CAS Number:
761388-52-7
Molecular Formula:
C10H12N2O4
Molecular Weight:
224.2133
MDL Number:
MFCD22421483
IUPAC Name:
4-nitro-3-(propan-2-ylamino)benzoic acid
InChI:
InChI=1S/C10H12N2O4/c1-6(2)11-8-5-7(10(13)14)3-4-9(8)12(15)16/h3-6,11H,1-2H3,(H,13,14)
InChI Key:
GELWNFNXTXIYIH-UHFFFAOYSA-N
SMILES:
CC(Nc1cc(ccc1[N+](=O)[O-])C(=O)O)C
Properties
Complexity:
275  
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:
3  
Topological Polar Surface Area:
95.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties