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

4-Nitro-3-(phenylamino)benzoic acid

CAS No.:
159190-73-5
Catalog Number:
AG00AQGG
Molecular Formula:
C13H10N2O4
Molecular Weight:
258.2295
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$157
- +
5g
97%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG00AQGG
Chemical Name:
4-Nitro-3-(phenylamino)benzoic acid
CAS Number:
159190-73-5
Molecular Formula:
C13H10N2O4
Molecular Weight:
258.2295
MDL Number:
MFCD22549307
IUPAC Name:
3-anilino-4-nitrobenzoic acid
InChI:
InChI=1S/C13H10N2O4/c16-13(17)9-6-7-12(15(18)19)11(8-9)14-10-4-2-1-3-5-10/h1-8,14H,(H,16,17)
InChI Key:
FVXNMUOKCJIVSY-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)Nc1ccccc1)[N+](=O)[O-]
Properties
Complexity:
336  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.064g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
258.233g/mol
Monoisotopic Mass:
258.064g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
95.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties