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1353982-10-1 | 2-Chloro-N-(3-cyano-benzyl)-N-ethyl-acetamide
CAS No: 1353982-10-1 Catalog No: AG01FABM MDL No:
Product Description
Catalog Number:
AG01FABM
Chemical Name:
2-Chloro-N-(3-cyano-benzyl)-N-ethyl-acetamide
CAS Number:
1353982-10-1
Molecular Formula:
C12H13ClN2O
Molecular Weight:
236.6974
IUPAC Name:
2-chloro-N-[(3-cyanophenyl)methyl]-N-ethylacetamide
InChI:
InChI=1S/C12H13ClN2O/c1-2-15(12(16)7-13)9-11-5-3-4-10(6-11)8-14/h3-6H,2,7,9H2,1H3
InChI Key:
FAMHTPPVQAOUFP-UHFFFAOYSA-N
SMILES:
CCN(C(=O)CCl)Cc1cccc(c1)C#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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