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99876-69-4 | Benzenesulfonyl chloride, 2-chloro-5-methyl-
CAS No: 99876-69-4 Catalog No: AG003W6Q MDL No:MFCD12922948
Product Description
Catalog Number:
AG003W6Q
Chemical Name:
Benzenesulfonyl chloride, 2-chloro-5-methyl-
CAS Number:
99876-69-4
Molecular Formula:
C7H6Cl2O2S
Molecular Weight:
225.0923
MDL Number:
MFCD12922948
IUPAC Name:
2-chloro-5-methylbenzenesulfonyl chloride
InChI:
InChI=1S/C7H6Cl2O2S/c1-5-2-3-6(8)7(4-5)12(9,10)11/h2-4H,1H3
InChI Key:
IJUVBGAZPUZWJR-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)S(=O)(=O)Cl)Cl
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.947g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.083g/mol
Monoisotopic Mass:
223.947g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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