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1072069-59-0 | N-(4-Chloro-2-methoxyphenyl)-2-cyanoacetamide
CAS No: 1072069-59-0 Catalog No: AG01FA7T MDL No:MFCD12828781
Product Description
Catalog Number:
AG01FA7T
Chemical Name:
N-(4-Chloro-2-methoxyphenyl)-2-cyanoacetamide
CAS Number:
1072069-59-0
Molecular Formula:
C10H9ClN2O2
Molecular Weight:
224.6437
MDL Number:
MFCD12828781
IUPAC Name:
N-(4-chloro-2-methoxyphenyl)-2-cyanoacetamide
InChI:
InChI=1S/C10H9ClN2O2/c1-15-9-6-7(11)2-3-8(9)13-10(14)4-5-12/h2-3,6H,4H2,1H3,(H,13,14)
InChI Key:
UDRCSFUSFMZOQN-UHFFFAOYSA-N
SMILES:
N#CCC(=O)Nc1ccc(cc1OC)Cl
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.035g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.644g/mol
Monoisotopic Mass:
224.035g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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