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Home > Nitro Compounds > 830320-99-5
830320-99-5 | Benzene, 1-nitro-4-[(1E)-1-octenylthio]-
CAS No: 830320-99-5 Catalog No: AG004YBD MDL No:
Product Description
Catalog Number:
AG004YBD
Chemical Name:
Benzene, 1-nitro-4-[(1E)-1-octenylthio]-
CAS Number:
830320-99-5
Molecular Formula:
C14H19NO2S
Molecular Weight:
265.3712
IUPAC Name:
1-nitro-4-oct-1-enylsulfanylbenzene
InChI:
InChI=1S/C14H19NO2S/c1-2-3-4-5-6-7-12-18-14-10-8-13(9-11-14)15(16)17/h7-12H,2-6H2,1H3
InChI Key:
DTUQWEDCHDJHFC-UHFFFAOYSA-N
SMILES:
CCCCCC/C=C/Sc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.114g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.371g/mol
Monoisotopic Mass:
265.114g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.6
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