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1443327-33-0 | Methyl 5-(4-chloro-3-fluorophenyl)-5-oxovalerate
CAS No: 1443327-33-0 Catalog No: AG01F9KJ MDL No:
Product Description
Catalog Number:
AG01F9KJ
Chemical Name:
Methyl 5-(4-chloro-3-fluorophenyl)-5-oxovalerate
CAS Number:
1443327-33-0
Molecular Formula:
C12H12ClFO3
Molecular Weight:
258.6733
IUPAC Name:
methyl 5-(4-chloro-3-fluorophenyl)-5-oxopentanoate
InChI:
InChI=1S/C12H12ClFO3/c1-17-12(16)4-2-3-11(15)8-5-6-9(13)10(14)7-8/h5-7H,2-4H2,1H3
InChI Key:
ZRGWRDBOVYTAAM-UHFFFAOYSA-N
SMILES:
COC(=O)CCCC(=O)c1ccc(c(c1)F)Cl
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.046g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.673g/mol
Monoisotopic Mass:
258.046g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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