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144222-67-3 | 3,4-Hexadienamide, N-(3-chloro-4-methylphenyl)-5-methyl-
CAS No: 144222-67-3 Catalog No: AG001J4Q MDL No:
Product Description
Catalog Number:
AG001J4Q
Chemical Name:
3,4-Hexadienamide, N-(3-chloro-4-methylphenyl)-5-methyl-
CAS Number:
144222-67-3
Molecular Formula:
C14H16ClNO
Molecular Weight:
249.7359
IUPAC Name:
N-(3-chloro-4-methylphenyl)-5-methylhexa-3,4-dienamide
InChI:
InChI=1S/C14H16ClNO/c1-10(2)5-4-6-14(17)16-12-8-7-11(3)13(15)9-12/h4,7-9H,6H2,1-3H3,(H,16,17)
InChI Key:
UGBPHBFLAPLVCW-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(c(c1)Cl)C)CC=C=C(C)C
Properties
Complexity:
327
Compound Is Canonicalized:
No
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.092g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.738g/mol
Monoisotopic Mass:
249.092g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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