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124476-88-6 | Acetamide, 2-chloro-N-(3-cyano-4,5-dimethyl-2-thienyl)-
CAS No: 124476-88-6 Catalog No: AG000M2W MDL No:MFCD02249755
Product Description
Catalog Number:
AG000M2W
Chemical Name:
Acetamide, 2-chloro-N-(3-cyano-4,5-dimethyl-2-thienyl)-
CAS Number:
124476-88-6
Molecular Formula:
C9H9ClN2OS
Molecular Weight:
228.6986
MDL Number:
MFCD02249755
IUPAC Name:
2-chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
InChI:
InChI=1S/C9H9ClN2OS/c1-5-6(2)14-9(7(5)4-11)12-8(13)3-10/h3H2,1-2H3,(H,12,13)
InChI Key:
FIXRIQLWMBHSRM-UHFFFAOYSA-N
SMILES:
ClCC(=O)Nc1sc(c(c1C#N)C)C
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.012g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.694g/mol
Monoisotopic Mass:
228.012g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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