Home Halogens N-[(3-chlorophenyl)methyl]-2-cyanoacetamide

N-[(3-chlorophenyl)methyl]-2-cyanoacetamide

CAS No.:
64488-08-0
Catalog Number:
AG01B1FT
Molecular Formula:
C10H9ClN2O
Molecular Weight:
208.6443
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Product Description
Catalog Number:
AG01B1FT
Chemical Name:
N-[(3-chlorophenyl)methyl]-2-cyanoacetamide
CAS Number:
64488-08-0
Molecular Formula:
C10H9ClN2O
Molecular Weight:
208.6443
MDL Number:
MFCD02111799
IUPAC Name:
N-[(3-chlorophenyl)methyl]-2-cyanoacetamide
InChI:
InChI=1S/C10H9ClN2O/c11-9-3-1-2-8(6-9)7-13-10(14)4-5-12/h1-3,6H,4,7H2,(H,13,14)
InChI Key:
BSFAHGRCRCEWMR-UHFFFAOYSA-N
SMILES:
N#CCC(=O)NCc1cccc(c1)Cl
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:
1.8  
Properties