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953725-14-9 | 3-iodo-4-methylbenzene-1-sulfonyl chloride
CAS No: 953725-14-9 Catalog No: AG01BCO4 MDL No:MFCD09730757
Product Description
Catalog Number:
AG01BCO4
Chemical Name:
3-iodo-4-methylbenzene-1-sulfonyl chloride
CAS Number:
953725-14-9
Molecular Formula:
C7H6ClIO2S
Molecular Weight:
316.5438
MDL Number:
MFCD09730757
IUPAC Name:
3-iodo-4-methylbenzenesulfonyl chloride
InChI:
InChI=1S/C7H6ClIO2S/c1-5-2-3-6(4-7(5)9)12(8,10)11/h2-4H,1H3
InChI Key:
ZEXWBLNNMZWGDT-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1I)S(=O)(=O)Cl
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.882g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.537g/mol
Monoisotopic Mass:
315.882g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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