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Home > Nitro Compounds > 7595-68-8
7595-68-8 | N-BENZYL-3-NITRO-BENZAMIDE
CAS No: 7595-68-8 Catalog No: AG005GZ9 MDL No:
Product Description
Catalog Number:
AG005GZ9
Chemical Name:
N-BENZYL-3-NITRO-BENZAMIDE
CAS Number:
7595-68-8
Molecular Formula:
C14H12N2O3
Molecular Weight:
256.2567
IUPAC Name:
N-benzyl-3-nitrobenzamide
InChI:
InChI=1S/C14H12N2O3/c17-14(15-10-11-5-2-1-3-6-11)12-7-4-8-13(9-12)16(18)19/h1-9H,10H2,(H,15,17)
InChI Key:
XEVAPEULJLQLAA-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1)[N+](=O)[O-])NCc1ccccc1
NSC Number:
405530
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.085g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.261g/mol
Monoisotopic Mass:
256.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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