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114660-03-6 | Benzene, 1-bromo-3-(phenylsulfonyl)-
CAS No: 114660-03-6 Catalog No: AG000EYP MDL No:
Product Description
Catalog Number:
AG000EYP
Chemical Name:
Benzene, 1-bromo-3-(phenylsulfonyl)-
CAS Number:
114660-03-6
Molecular Formula:
C12H9BrO2S
Molecular Weight:
297.1677
IUPAC Name:
1-(benzenesulfonyl)-3-bromobenzene
InChI:
InChI=1S/C12H9BrO2S/c13-10-5-4-8-12(9-10)16(14,15)11-6-2-1-3-7-11/h1-9H
InChI Key:
UKJFYKYKLBOEFP-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)S(=O)(=O)c1ccccc1
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.951g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.166g/mol
Monoisotopic Mass:
295.951g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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