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Home Sulfos 2-((4-Chlorophenyl)sulfonyl)acetonitrile

2-((4-Chlorophenyl)sulfonyl)acetonitrile

CAS No.:
1851-09-8
Catalog Number:
AG003L85
Molecular Formula:
C8H6ClNO2S
Molecular Weight:
215.6567
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Product Description
Catalog Number:
AG003L85
Chemical Name:
2-((4-Chlorophenyl)sulfonyl)acetonitrile
CAS Number:
1851-09-8
Molecular Formula:
C8H6ClNO2S
Molecular Weight:
215.6567
MDL Number:
MFCD00045626
IUPAC Name:
2-(4-chlorophenyl)sulfonylacetonitrile
InChI:
InChI=1S/C8H6ClNO2S/c9-7-1-3-8(4-2-7)13(11,12)6-5-10/h1-4H,6H2
InChI Key:
HAQGVGPNKGGSMK-UHFFFAOYSA-N
SMILES:
N#CCS(=O)(=O)c1ccc(cc1)Cl
Properties
Complexity:
303  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.981g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.651g/mol
Monoisotopic Mass:
214.981g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties