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862574-71-8 | Benzenepropanal,2-chloro-6-fluoro-
CAS No: 862574-71-8 Catalog No: AG004S1U MDL No:MFCD09028581
Product Description
Catalog Number:
AG004S1U
Chemical Name:
Benzenepropanal,2-chloro-6-fluoro-
CAS Number:
862574-71-8
Molecular Formula:
C9H8ClFO
Molecular Weight:
186.6106
MDL Number:
MFCD09028581
IUPAC Name:
3-(2-chloro-6-fluorophenyl)propanal
InChI:
InChI=1S/C9H8ClFO/c10-8-4-1-5-9(11)7(8)3-2-6-12/h1,4-6H,2-3H2
InChI Key:
ZIHFMCKJCADUMG-UHFFFAOYSA-N
SMILES:
O=CCCc1c(F)cccc1Cl
Properties
Complexity:
152
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:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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