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89313-31-5 | Benzenesulfonyl chloride, 4-(2-oxopropyl)-
CAS No: 89313-31-5 Catalog No: AG003YM3 MDL No:
Product Description
Catalog Number:
AG003YM3
Chemical Name:
Benzenesulfonyl chloride, 4-(2-oxopropyl)-
CAS Number:
89313-31-5
Molecular Formula:
C9H9ClO3S
Molecular Weight:
232.6840
IUPAC Name:
4-(2-oxopropyl)benzenesulfonyl chloride
InChI:
InChI=1S/C9H9ClO3S/c1-7(11)6-8-2-4-9(5-3-8)14(10,12)13/h2-5H,6H2,1H3
InChI Key:
IORUQWMUNZWJRG-UHFFFAOYSA-N
SMILES:
CC(=O)Cc1ccc(cc1)S(=O)(=O)Cl
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.996g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.678g/mol
Monoisotopic Mass:
231.996g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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