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101195-46-4 | 2-Cyclohexene-1-acetamide, N-(2-chlorophenyl)-
CAS No: 101195-46-4 Catalog No: AG0003WS MDL No:
Product Description
Catalog Number:
AG0003WS
Chemical Name:
2-Cyclohexene-1-acetamide, N-(2-chlorophenyl)-
CAS Number:
101195-46-4
Molecular Formula:
C14H16ClNO
Molecular Weight:
249.7359
IUPAC Name:
N-(2-chlorophenyl)-2-cyclohex-2-en-1-ylacetamide
InChI:
InChI=1S/C14H16ClNO/c15-12-8-4-5-9-13(12)16-14(17)10-11-6-2-1-3-7-11/h2,4-6,8-9,11H,1,3,7,10H2,(H,16,17)
InChI Key:
WSJQCVGIORIUPL-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccccc1Cl)CC1CCCC=C1
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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