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25195-52-2 | Benzene, 1-bromo-2-[(methylsulfonyl)methyl]-
CAS No: 25195-52-2 Catalog No: AG002QUK MDL No:MFCD06798011
Product Description
Catalog Number:
AG002QUK
Chemical Name:
Benzene, 1-bromo-2-[(methylsulfonyl)methyl]-
CAS Number:
25195-52-2
Molecular Formula:
C8H9BrO2S
Molecular Weight:
249.1249
MDL Number:
MFCD06798011
IUPAC Name:
1-bromo-2-(methylsulfonylmethyl)benzene
InChI:
InChI=1S/C8H9BrO2S/c1-12(10,11)6-7-4-2-3-5-8(7)9/h2-5H,6H2,1H3
InChI Key:
BULUABWJXGYTEX-UHFFFAOYSA-N
SMILES:
Brc1ccccc1CS(=O)(=O)C
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.951g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.122g/mol
Monoisotopic Mass:
247.951g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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