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83285-27-2 | (E)-3-(benzenesulfonyl)-2,3-dichloro-prop-2-enenitrile
CAS No: 83285-27-2 Catalog No: AG004XGR MDL No:
Product Description
Catalog Number:
AG004XGR
Chemical Name:
(E)-3-(benzenesulfonyl)-2,3-dichloro-prop-2-enenitrile
CAS Number:
83285-27-2
Molecular Formula:
C9H5Cl2NO2S
Molecular Weight:
262.1125
IUPAC Name:
(E)-3-(benzenesulfonyl)-2,3-dichloroprop-2-enenitrile
InChI:
InChI=1S/C9H5Cl2NO2S/c10-8(6-12)9(11)15(13,14)7-4-2-1-3-5-7/h1-5H/b9-8-
InChI Key:
PHKFZNHKWSVWNM-HJWRWDBZSA-N
SMILES:
N#C/C(=C(/S(=O)(=O)c1ccccc1)\Cl)/Cl
EC Number:
280-366-8
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
260.942g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.104g/mol
Monoisotopic Mass:
260.942g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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