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1208074-67-2 | 2-Bromo-4,6-dimethylbenzenesulfonyl chloride
CAS No: 1208074-67-2 Catalog No: AG01FAK7 MDL No:MFCD12026176
Product Description
Catalog Number:
AG01FAK7
Chemical Name:
2-Bromo-4,6-dimethylbenzenesulfonyl chloride
CAS Number:
1208074-67-2
Molecular Formula:
C8H8BrClO2S
Molecular Weight:
283.5699
MDL Number:
MFCD12026176
IUPAC Name:
2-bromo-4,6-dimethylbenzenesulfonyl chloride
InChI:
InChI=1S/C8H8BrClO2S/c1-5-3-6(2)8(7(9)4-5)13(10,11)12/h3-4H,1-2H3
InChI Key:
XFUGPNORIVRXHF-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c(c(c1)Br)S(=O)(=O)Cl
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.912g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.564g/mol
Monoisotopic Mass:
281.912g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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