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141113-98-6 | Benzenesulfonyl chloride, 2-bromo-5-methyl-
CAS No: 141113-98-6 Catalog No: AG001FXU MDL No:MFCD07783823
Product Description
Catalog Number:
AG001FXU
Chemical Name:
Benzenesulfonyl chloride, 2-bromo-5-methyl-
CAS Number:
141113-98-6
Molecular Formula:
C7H6BrClO2S
Molecular Weight:
269.5433
MDL Number:
MFCD07783823
IUPAC Name:
2-bromo-5-methylbenzenesulfonyl chloride
InChI:
InChI=1S/C7H6BrClO2S/c1-5-2-3-6(8)7(4-5)12(9,10)11/h2-4H,1H3
InChI Key:
ZFCDMNSVQJUZTG-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)S(=O)(=O)Cl)Br
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.896g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.537g/mol
Monoisotopic Mass:
267.896g/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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