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Home > Nitro Compounds > 88346-68-3
88346-68-3 | Benzamide, N-(5-cyanopentyl)-2-nitro-
CAS No: 88346-68-3 Catalog No: AG0047PW MDL No:
Product Description
Catalog Number:
AG0047PW
Chemical Name:
Benzamide, N-(5-cyanopentyl)-2-nitro-
CAS Number:
88346-68-3
Molecular Formula:
C13H15N3O3
Molecular Weight:
261.2765
IUPAC Name:
N-(5-cyanopentyl)-2-nitrobenzamide
InChI:
InChI=1S/C13H15N3O3/c14-9-5-1-2-6-10-15-13(17)11-7-3-4-8-12(11)16(18)19/h3-4,7-8H,1-2,5-6,10H2,(H,15,17)
InChI Key:
JIZJJWFSKUWZIO-UHFFFAOYSA-N
SMILES:
N#CCCCCCNC(=O)c1ccccc1[N+](=O)[O-]
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.111g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.281g/mol
Monoisotopic Mass:
261.111g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
98.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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