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90299-39-1 | 1-Cyclohexene-1-acetamide, N-[1-(2,4-dichlorophenyl)-1-methylethyl]-
CAS No: 90299-39-1 Catalog No: AG006G0B MDL No:
Product Description
Catalog Number:
AG006G0B
Chemical Name:
1-Cyclohexene-1-acetamide, N-[1-(2,4-dichlorophenyl)-1-methylethyl]-
CAS Number:
90299-39-1
Molecular Formula:
C17H21Cl2NO
Molecular Weight:
326.2607
IUPAC Name:
2-(cyclohexen-1-yl)-N-[2-(2,4-dichlorophenyl)propan-2-yl]acetamide
InChI:
InChI=1S/C17H21Cl2NO/c1-17(2,14-9-8-13(18)11-15(14)19)20-16(21)10-12-6-4-3-5-7-12/h6,8-9,11H,3-5,7,10H2,1-2H3,(H,20,21)
InChI Key:
GAHRQFPKRFLQOI-UHFFFAOYSA-N
SMILES:
O=C(NC(c1ccc(cc1Cl)Cl)(C)C)CC1=CCCCC1
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.1g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
326.261g/mol
Monoisotopic Mass:
325.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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