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115156-27-9 | Propanamide, 2-(4-chloro-2-methylphenoxy)-N-(1-cyano-1-ethylpropyl)-
CAS No: 115156-27-9 Catalog No: AG000GBV MDL No:
Product Description
Catalog Number:
AG000GBV
Chemical Name:
Propanamide, 2-(4-chloro-2-methylphenoxy)-N-(1-cyano-1-ethylpropyl)-
CAS Number:
115156-27-9
Molecular Formula:
C16H21ClN2O2
Molecular Weight:
308.8031
IUPAC Name:
2-(4-chloro-2-methylphenoxy)-N-(3-cyanopentan-3-yl)propanamide
InChI:
InChI=1S/C16H21ClN2O2/c1-5-16(6-2,10-18)19-15(20)12(4)21-14-8-7-13(17)9-11(14)3/h7-9,12H,5-6H2,1-4H3,(H,19,20)
InChI Key:
RXHDEJXRDBKYPZ-UHFFFAOYSA-N
SMILES:
CCC(NC(=O)C(Oc1ccc(cc1C)Cl)C)(C#N)CC
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.129g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
308.806g/mol
Monoisotopic Mass:
308.129g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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