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Home > Fluorides > 1267217-42-4
1267217-42-4 | Methyl 5-(3,4-difluorophenyl)-5-oxovalerate
CAS No: 1267217-42-4 Catalog No: AG01FAWE MDL No:
Product Description
Catalog Number:
AG01FAWE
Chemical Name:
Methyl 5-(3,4-difluorophenyl)-5-oxovalerate
CAS Number:
1267217-42-4
Molecular Formula:
C12H12F2O3
Molecular Weight:
242.2187
IUPAC Name:
methyl 5-(3,4-difluorophenyl)-5-oxopentanoate
InChI:
InChI=1S/C12H12F2O3/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:
BXUICFMIAWNFID-UHFFFAOYSA-N
SMILES:
COC(=O)CCCC(=O)c1ccc(c(c1)F)F
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.075g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.222g/mol
Monoisotopic Mass:
242.075g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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