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23038-36-0 | Benzene, 1-bromo-4-(phenylsulfonyl)-
CAS No: 23038-36-0 Catalog No: AG002LYD MDL No:MFCD00034047
Product Description
Catalog Number:
AG002LYD
Chemical Name:
Benzene, 1-bromo-4-(phenylsulfonyl)-
CAS Number:
23038-36-0
Molecular Formula:
C12H9BrO2S
Molecular Weight:
297.1677
MDL Number:
MFCD00034047
IUPAC Name:
1-(benzenesulfonyl)-4-bromobenzene
InChI:
InChI=1S/C12H9BrO2S/c13-10-6-8-12(9-7-10)16(14,15)11-4-2-1-3-5-11/h1-9H
InChI Key:
WUQDRRXKNVIWIR-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)S(=O)(=O)c1ccccc1
EC Number:
245-392-6
NSC Number:
220105
Properties
Complexity:
306
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:
3.2
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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