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1183028-32-1 | 2-Chloro-N-(3-cyano-benzyl)-N-methyl-acetamide
CAS No: 1183028-32-1 Catalog No: AG01F9ZQ MDL No:
Product Description
Catalog Number:
AG01F9ZQ
Chemical Name:
2-Chloro-N-(3-cyano-benzyl)-N-methyl-acetamide
CAS Number:
1183028-32-1
Molecular Formula:
C11H11ClN2O
Molecular Weight:
222.6708
IUPAC Name:
2-chloro-N-[(3-cyanophenyl)methyl]-N-methylacetamide
InChI:
InChI=1S/C11H11ClN2O/c1-14(11(15)6-12)8-10-4-2-3-9(5-10)7-13/h2-5H,6,8H2,1H3
InChI Key:
BOMSMPGMLMCLSL-UHFFFAOYSA-N
SMILES:
ClCC(=O)N(Cc1cccc(c1)C#N)C
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.056g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.672g/mol
Monoisotopic Mass:
222.056g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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