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1353964-93-8 | 2-Chloro-N-(2-cyano-benzyl)-acetamide
CAS No: 1353964-93-8 Catalog No: AG01FD26 MDL No:
Product Description
Catalog Number:
AG01FD26
Chemical Name:
2-Chloro-N-(2-cyano-benzyl)-acetamide
CAS Number:
1353964-93-8
Molecular Formula:
C10H9ClN2O
Molecular Weight:
208.6443
IUPAC Name:
2-chloro-N-[(2-cyanophenyl)methyl]acetamide
InChI:
InChI=1S/C10H9ClN2O/c11-5-10(14)13-7-9-4-2-1-3-8(9)6-12/h1-4H,5,7H2,(H,13,14)
InChI Key:
PHWKSCAFSSNHCL-UHFFFAOYSA-N
SMILES:
ClCC(=O)NCc1ccccc1C#N
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.04g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.645g/mol
Monoisotopic Mass:
208.04g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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