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13740-38-0 | Propanamide, 2-(4-chloro-2-methylphenoxy)-N-phenyl-
CAS No: 13740-38-0 Catalog No: AG001394 MDL No:
Product Description
Catalog Number:
AG001394
Chemical Name:
Propanamide, 2-(4-chloro-2-methylphenoxy)-N-phenyl-
CAS Number:
13740-38-0
Molecular Formula:
C16H16ClNO2
Molecular Weight:
289.7567
IUPAC Name:
2-(4-chloro-2-methylphenoxy)-N-phenylpropanamide
InChI:
InChI=1S/C16H16ClNO2/c1-11-10-13(17)8-9-15(11)20-12(2)16(19)18-14-6-4-3-5-7-14/h3-10,12H,1-2H3,(H,18,19)
InChI Key:
QPWNBJYOBTUXBH-UHFFFAOYSA-N
SMILES:
O=C(C(Oc1ccc(cc1C)Cl)C)Nc1ccccc1
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.087g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.759g/mol
Monoisotopic Mass:
289.087g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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