sales@angenesci.com
Login | Register
logo
Structures Search
Home Aminos 3-(Benzylamino)-4-nitrobenzoic acid

3-(Benzylamino)-4-nitrobenzoic acid

CAS No.:
1400644-88-3
Catalog Number:
AG009X1N
Molecular Formula:
C14H12N2O4
Molecular Weight:
272.2561
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$169
- +
5g
96%
In Stock USA
United States
$650
- +
Product Description
Catalog Number:
AG009X1N
Chemical Name:
3-(Benzylamino)-4-nitrobenzoic acid
CAS Number:
1400644-88-3
Molecular Formula:
C14H12N2O4
Molecular Weight:
272.2561
MDL Number:
MFCD22421498
IUPAC Name:
3-(benzylamino)-4-nitrobenzoic acid
InChI:
InChI=1S/C14H12N2O4/c17-14(18)11-6-7-13(16(19)20)12(8-11)15-9-10-4-2-1-3-5-10/h1-8,15H,9H2,(H,17,18)
InChI Key:
FWMVBTNEUYMWCZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)NCc1ccccc1)[N+](=O)[O-]
Properties
Complexity:
350  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.08g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
272.26g/mol
Monoisotopic Mass:
272.08g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
95.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties