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188854-65-1 | 1-Butanone, 4,4,4-trichloro-3-hydroxy-1-phenyl-, (3S)-
CAS No: 188854-65-1 Catalog No: AG002HEH MDL No:
Product Description
Catalog Number:
AG002HEH
Chemical Name:
1-Butanone, 4,4,4-trichloro-3-hydroxy-1-phenyl-, (3S)-
CAS Number:
188854-65-1
Molecular Formula:
C10H9Cl3O2
Molecular Weight:
267.5363
IUPAC Name:
(3S)-4,4,4-trichloro-3-hydroxy-1-phenylbutan-1-one
InChI:
InChI=1S/C10H9Cl3O2/c11-10(12,13)9(15)6-8(14)7-4-2-1-3-5-7/h1-5,9,15H,6H2/t9-/m0/s1
InChI Key:
JTJFOKGHNOVCTC-VIFPVBQESA-N
SMILES:
O[C@H](C(Cl)(Cl)Cl)CC(=O)c1ccccc1
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
265.967g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.53g/mol
Monoisotopic Mass:
265.967g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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