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33951-33-6 | 1-Bromo-2-(methylsulfonyl)benzene
CAS No: 33951-33-6 Catalog No: AG003GSO MDL No:MFCD07368924
Product Description
Catalog Number:
AG003GSO
Chemical Name:
1-Bromo-2-(methylsulfonyl)benzene
CAS Number:
33951-33-6
Molecular Formula:
C7H7BrO2S
Molecular Weight:
235.0983
MDL Number:
MFCD07368924
IUPAC Name:
1-bromo-2-methylsulfonylbenzene
InChI:
InChI=1S/C7H7BrO2S/c1-11(9,10)7-5-3-2-4-6(7)8/h2-5H,1H3
InChI Key:
KEBPSJRKAZKUKP-UHFFFAOYSA-N
SMILES:
Brc1ccccc1S(=O)(=O)C
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.935g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.095g/mol
Monoisotopic Mass:
233.935g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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