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139040-36-1 | 2-Butanone, 1,1,1-trichloro-4-phenyl-
CAS No: 139040-36-1 Catalog No: AG001A32 MDL No:
Product Description
Catalog Number:
AG001A32
Chemical Name:
2-Butanone, 1,1,1-trichloro-4-phenyl-
CAS Number:
139040-36-1
Molecular Formula:
C10H9Cl3O
Molecular Weight:
251.5369
IUPAC Name:
1,1,1-trichloro-4-phenylbutan-2-one
InChI:
InChI=1S/C10H9Cl3O/c11-10(12,13)9(14)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChI Key:
OJJORKKLZDKAIR-UHFFFAOYSA-N
SMILES:
O=C(C(Cl)(Cl)Cl)CCc1ccccc1
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.972g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.531g/mol
Monoisotopic Mass:
249.972g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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