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144691-85-0 | 2-Hexen-1-one, 3-chloro-1-phenyl-
CAS No: 144691-85-0 Catalog No: AG001JZZ MDL No:
Product Description
Catalog Number:
AG001JZZ
Chemical Name:
2-Hexen-1-one, 3-chloro-1-phenyl-
CAS Number:
144691-85-0
Molecular Formula:
C12H13ClO
Molecular Weight:
208.6840
IUPAC Name:
3-chloro-1-phenylhex-2-en-1-one
InChI:
InChI=1S/C12H13ClO/c1-2-6-11(13)9-12(14)10-7-4-3-5-8-10/h3-5,7-9H,2,6H2,1H3
InChI Key:
UAKXSSDTESSQES-UHFFFAOYSA-N
SMILES:
CCCC(=CC(=O)c1ccccc1)Cl
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.065g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.685g/mol
Monoisotopic Mass:
208.065g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.6
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