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53531-68-3 | (3-methylphenyl)methanesulfonyl chloride
CAS No: 53531-68-3 Catalog No: AG0038O0 MDL No:MFCD04117457
Product Description
Catalog Number:
AG0038O0
Chemical Name:
(3-methylphenyl)methanesulfonyl chloride
CAS Number:
53531-68-3
Molecular Formula:
C8H9ClO2S
Molecular Weight:
204.6739
MDL Number:
MFCD04117457
IUPAC Name:
(3-methylphenyl)methanesulfonyl chloride
InChI:
InChI=1S/C8H9ClO2S/c1-7-3-2-4-8(5-7)6-12(9,10)11/h2-5H,6H2,1H3
InChI Key:
ICTNKQWSHVQWGK-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)CS(=O)(=O)Cl
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.001g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.668g/mol
Monoisotopic Mass:
204.001g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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