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Home > Nitro Compounds > 83447-96-5
83447-96-5 | phenyl 2-nitrobenzenesulfonate
CAS No: 83447-96-5 Catalog No: AG004VJK MDL No:
Product Description
Catalog Number:
AG004VJK
Chemical Name:
phenyl 2-nitrobenzenesulfonate
CAS Number:
83447-96-5
Molecular Formula:
C12H9NO5S
Molecular Weight:
279.2686
IUPAC Name:
1,4-bis(iodomethyl)cyclohexane
InChI:
InChI=1S/C8H14I2/c9-5-7-1-2-8(6-10)4-3-7/h7-8H,1-6H2
InChI Key:
CADHELUGADNHSF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1S(=O)(=O)Oc1ccccc1
EC Number:
800-300-9
Properties
Complexity:
73.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.918g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
364.009g/mol
Monoisotopic Mass:
363.918g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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