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1015-44-7 | Propanenitrile, 2-chloro-3-[(4-chlorophenyl)sulfonyl]-
CAS No: 1015-44-7 Catalog No: AG0004MZ MDL No:
Product Description
Catalog Number:
AG0004MZ
Chemical Name:
Propanenitrile, 2-chloro-3-[(4-chlorophenyl)sulfonyl]-
CAS Number:
1015-44-7
Molecular Formula:
C9H7Cl2NO2S
Molecular Weight:
264.1284
IUPAC Name:
2-chloro-3-(4-chlorophenyl)sulfonylpropanenitrile
InChI:
InChI=1S/C9H7Cl2NO2S/c10-7-1-3-9(4-2-7)15(13,14)6-8(11)5-12/h1-4,8H,6H2
InChI Key:
AYFIWYZUNSSWKP-UHFFFAOYSA-N
SMILES:
ClC(CS(=O)(=O)c1ccc(cc1)Cl)C#N
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.957g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.12g/mol
Monoisotopic Mass:
262.957g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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