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5335-40-0 | 3-(Methylsulfonyl)benzenesulfonyl Chloride
CAS No: 5335-40-0 Catalog No: AG003I8X MDL No:MFCD04037968
Product Description
Catalog Number:
AG003I8X
Chemical Name:
3-(Methylsulfonyl)benzenesulfonyl Chloride
CAS Number:
5335-40-0
Molecular Formula:
C7H7ClO4S2
Molecular Weight:
254.7111
MDL Number:
MFCD04037968
IUPAC Name:
3-methylsulfonylbenzenesulfonyl chloride
InChI:
InChI=1S/C7H7ClO4S2/c1-13(9,10)6-3-2-4-7(5-6)14(8,11)12/h2-5H,1H3
InChI Key:
CQEFJGDLGWJIRV-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)c1cccc(c1)S(=O)(=O)Cl
NSC Number:
2940
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.947g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.699g/mol
Monoisotopic Mass:
253.947g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
85A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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