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Home > Nitro Compounds > 74737-92-1
74737-92-1 | Benzene, [(1-nitrooctyl)sulfonyl]-
CAS No: 74737-92-1 Catalog No: AG0059P1 MDL No:
Product Description
Catalog Number:
AG0059P1
Chemical Name:
Benzene, [(1-nitrooctyl)sulfonyl]-
CAS Number:
74737-92-1
Molecular Formula:
C14H21NO4S
Molecular Weight:
299.3858
IUPAC Name:
1-nitrooctylsulfonylbenzene
InChI:
InChI=1S/C14H21NO4S/c1-2-3-4-5-9-12-14(15(16)17)20(18,19)13-10-7-6-8-11-13/h6-8,10-11,14H,2-5,9,12H2,1H3
InChI Key:
MTEJQYDZTDFLOL-UHFFFAOYSA-N
SMILES:
CCCCCCCC(S(=O)(=O)c1ccccc1)[N+](=O)[O-]
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.119g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.385g/mol
Monoisotopic Mass:
299.119g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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