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73315-00-1 | 1-Cyclohexene-1,2-dicarboxamide, N-(4-chlorophenyl)-N'-propyl-
CAS No: 73315-00-1 Catalog No: AG005ERW MDL No:
Product Description
Catalog Number:
AG005ERW
Chemical Name:
1-Cyclohexene-1,2-dicarboxamide, N-(4-chlorophenyl)-N'-propyl-
CAS Number:
73315-00-1
Molecular Formula:
C17H21ClN2O2
Molecular Weight:
320.8138
IUPAC Name:
2-N-(4-chlorophenyl)-1-N-propylcyclohexene-1,2-dicarboxamide
InChI:
InChI=1S/C17H21ClN2O2/c1-2-11-19-16(21)14-5-3-4-6-15(14)17(22)20-13-9-7-12(18)8-10-13/h7-10H,2-6,11H2,1H3,(H,19,21)(H,20,22)
InChI Key:
SBGIPBUBKOFSFZ-UHFFFAOYSA-N
SMILES:
CCCNC(=O)C1=C(CCCC1)C(=O)Nc1ccc(cc1)Cl
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.129g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
320.817g/mol
Monoisotopic Mass:
320.129g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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