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Home > Nitro Compounds > 34907-24-9
34907-24-9 | N-(4-nitrobenzyl)benzamide
CAS No: 34907-24-9 Catalog No: AG00JHFD MDL No:MFCD02691221
Product Description
Catalog Number:
AG00JHFD
Chemical Name:
N-(4-nitrobenzyl)benzamide
CAS Number:
34907-24-9
Molecular Formula:
C14H12N2O3
Molecular Weight:
256.2567
MDL Number:
MFCD02691221
IUPAC Name:
N-[(4-nitrophenyl)methyl]benzamide
InChI:
InChI=1S/C14H12N2O3/c17-14(12-4-2-1-3-5-12)15-10-11-6-8-13(9-7-11)16(18)19/h1-9H,10H2,(H,15,17)
InChI Key:
TVGZIMVSSPILRJ-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)NCc1ccc(cc1)[N+](=O)[O-]
NSC Number:
135198
Properties
Complexity:
313
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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