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177211-26-6 | Ethanone, 1-(4-chloro-2-fluoro-5-methylphenyl)-
CAS No: 177211-26-6 Catalog No: AG00256E MDL No:MFCD00236601
Product Description
Catalog Number:
AG00256E
Chemical Name:
Ethanone, 1-(4-chloro-2-fluoro-5-methylphenyl)-
CAS Number:
177211-26-6
Molecular Formula:
C9H8ClFO
Molecular Weight:
186.6106
MDL Number:
MFCD00236601
IUPAC Name:
1-(4-chloro-2-fluoro-5-methylphenyl)ethanone
InChI:
InChI=1S/C9H8ClFO/c1-5-3-7(6(2)12)9(11)4-8(5)10/h3-4H,1-2H3
InChI Key:
NOYPJFRXHUSDQL-UHFFFAOYSA-N
SMILES:
CC(=O)c1cc(C)c(cc1F)Cl
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.025g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.61g/mol
Monoisotopic Mass:
186.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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