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203128-81-8 | Benzene, [[(1E)-3-chloro-1-propen-1-yl]sulfonyl]-
CAS No: 203128-81-8 Catalog No: AG0028P6 MDL No:
Product Description
Catalog Number:
AG0028P6
Chemical Name:
Benzene, [[(1E)-3-chloro-1-propen-1-yl]sulfonyl]-
CAS Number:
203128-81-8
Molecular Formula:
C9H9ClO2S
Molecular Weight:
216.6846
IUPAC Name:
3-chloroprop-1-enylsulfonylbenzene
InChI:
InChI=1S/C9H9ClO2S/c10-7-4-8-13(11,12)9-5-2-1-3-6-9/h1-6,8H,7H2
InChI Key:
PZSHXKDCKNTEPQ-UHFFFAOYSA-N
SMILES:
ClC/C=C/S(=O)(=O)c1ccccc1
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.001g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.679g/mol
Monoisotopic Mass:
216.001g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
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