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88175-00-2 | 2-Cyclohexen-1-one, 3-hydroxy-5-(2,4,6-trichlorophenyl)-
CAS No: 88175-00-2 Catalog No: AG004CIR MDL No:
Product Description
Catalog Number:
AG004CIR
Chemical Name:
2-Cyclohexen-1-one, 3-hydroxy-5-(2,4,6-trichlorophenyl)-
CAS Number:
88175-00-2
Molecular Formula:
C12H9Cl3O2
Molecular Weight:
291.5577
IUPAC Name:
3-hydroxy-5-(2,4,6-trichlorophenyl)cyclohex-2-en-1-one
InChI:
InChI=1S/C12H9Cl3O2/c13-7-3-10(14)12(11(15)4-7)6-1-8(16)5-9(17)2-6/h3-6,16H,1-2H2
InChI Key:
CVEYCUICVREOCW-UHFFFAOYSA-N
SMILES:
OC1=CC(=O)CC(C1)c1c(Cl)cc(cc1Cl)Cl
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.967g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.552g/mol
Monoisotopic Mass:
289.967g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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