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Home > Nitro Compounds > 87740-13-4
87740-13-4 | Benzene, 1-nitro-3-(1-nonenyl)-
CAS No: 87740-13-4 Catalog No: AG004LNN MDL No:
Product Description
Catalog Number:
AG004LNN
Chemical Name:
Benzene, 1-nitro-3-(1-nonenyl)-
CAS Number:
87740-13-4
Molecular Formula:
C15H21NO2
Molecular Weight:
247.3327
IUPAC Name:
1-nitro-3-non-1-enylbenzene
InChI:
InChI=1S/C15H21NO2/c1-2-3-4-5-6-7-8-10-14-11-9-12-15(13-14)16(17)18/h8-13H,2-7H2,1H3
InChI Key:
KUJSJRGREKOKJR-UHFFFAOYSA-N
SMILES:
CCCCCCCC=Cc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.157g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.338g/mol
Monoisotopic Mass:
247.157g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.7
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