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14223-23-5 | Propanenitrile, 3-[(4-bromophenyl)sulfonyl]-
CAS No: 14223-23-5 Catalog No: AG001I1B MDL No:MFCD00457090
Product Description
Catalog Number:
AG001I1B
Chemical Name:
Propanenitrile, 3-[(4-bromophenyl)sulfonyl]-
CAS Number:
14223-23-5
Molecular Formula:
C9H8BrNO2S
Molecular Weight:
274.1343
MDL Number:
MFCD00457090
IUPAC Name:
3-(4-bromophenyl)sulfonylpropanenitrile
InChI:
InChI=1S/C9H8BrNO2S/c10-8-2-4-9(5-3-8)14(12,13)7-1-6-11/h2-5H,1,7H2
InChI Key:
RYSFIXLXIPDHST-UHFFFAOYSA-N
SMILES:
N#CCCS(=O)(=O)c1ccc(cc1)Br
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.946g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.132g/mol
Monoisotopic Mass:
272.946g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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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