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Home > Nitro Compounds > 87740-14-5
87740-14-5 | Benzene, 1-(1-dodecenyl)-3-nitro-
CAS No: 87740-14-5 Catalog No: AG004IOR MDL No:
Product Description
Catalog Number:
AG004IOR
Chemical Name:
Benzene, 1-(1-dodecenyl)-3-nitro-
CAS Number:
87740-14-5
Molecular Formula:
C18H27NO2
Molecular Weight:
289.4125
IUPAC Name:
1-dodec-1-enyl-3-nitrobenzene
InChI:
InChI=1S/C18H27NO2/c1-2-3-4-5-6-7-8-9-10-11-13-17-14-12-15-18(16-17)19(20)21/h11-16H,2-10H2,1H3
InChI Key:
OEKMSSCBTMMKEO-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCC=Cc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.204g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.419g/mol
Monoisotopic Mass:
289.204g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
7.3
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