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19169-90-5 | Benzene, [(bromomethyl)sulfonyl]-
CAS No: 19169-90-5 Catalog No: AG002FF5 MDL No:MFCD00034033
Product Description
Catalog Number:
AG002FF5
Chemical Name:
Benzene, [(bromomethyl)sulfonyl]-
CAS Number:
19169-90-5
Molecular Formula:
C7H7BrO2S
Molecular Weight:
235.0983
MDL Number:
MFCD00034033
IUPAC Name:
bromomethylsulfonylbenzene
InChI:
InChI=1S/C7H7BrO2S/c8-6-11(9,10)7-4-2-1-3-5-7/h1-5H,6H2
InChI Key:
SKIMEKUYIQHJQV-UHFFFAOYSA-N
SMILES:
BrCS(=O)(=O)c1ccccc1
NSC Number:
122669
Properties
Complexity:
199
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:
2
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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