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959387-06-5 | N-(2-Chloro-4-methylphenyl)-2-cyanoacetamide
CAS No: 959387-06-5 Catalog No: AG01FASZ MDL No:MFCD11192183
Product Description
Catalog Number:
AG01FASZ
Chemical Name:
N-(2-Chloro-4-methylphenyl)-2-cyanoacetamide
CAS Number:
959387-06-5
Molecular Formula:
C10H9ClN2O
Molecular Weight:
208.6443
MDL Number:
MFCD11192183
IUPAC Name:
N-(2-chloro-4-methylphenyl)-2-cyanoacetamide
InChI:
InChI=1S/C10H9ClN2O/c1-7-2-3-9(8(11)6-7)13-10(14)4-5-12/h2-3,6H,4H2,1H3,(H,13,14)
InChI Key:
RTKKFUWRRABMTM-UHFFFAOYSA-N
SMILES:
N#CCC(=O)Nc1ccc(cc1Cl)C
Properties
Complexity:
258
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:
2
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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