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1179651-49-0 | 2-Chloro-N-(2-cyano-benzyl)-N-ethyl-acetamide
CAS No: 1179651-49-0 Catalog No: AG01FA8D MDL No:
Product Description
Catalog Number:
AG01FA8D
Chemical Name:
2-Chloro-N-(2-cyano-benzyl)-N-ethyl-acetamide
CAS Number:
1179651-49-0
Molecular Formula:
C12H13ClN2O
Molecular Weight:
236.6974
IUPAC Name:
2-chloro-N-[(2-cyanophenyl)methyl]-N-ethylacetamide
InChI:
InChI=1S/C12H13ClN2O/c1-2-15(12(16)7-13)9-11-6-4-3-5-10(11)8-14/h3-6H,2,7,9H2,1H3
InChI Key:
SPCIOOHOKVVGLR-UHFFFAOYSA-N
SMILES:
CCN(C(=O)CCl)Cc1ccccc1C#N
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.072g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.699g/mol
Monoisotopic Mass:
236.072g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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