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Home > Fluorides > 149437-67-2
149437-67-2 | Methyl 4-(4-fluorobenzoyl)butyrate
CAS No: 149437-67-2 Catalog No: AG01F2CV MDL No:MFCD11617535
Product Description
Catalog Number:
AG01F2CV
Chemical Name:
Methyl 4-(4-fluorobenzoyl)butyrate
CAS Number:
149437-67-2
Molecular Formula:
C12H13FO3
Molecular Weight:
224.2282
MDL Number:
MFCD11617535
IUPAC Name:
methyl 5-(4-fluorophenyl)-5-oxopentanoate
InChI:
InChI=1S/C12H13FO3/c1-16-12(15)4-2-3-11(14)9-5-7-10(13)8-6-9/h5-8H,2-4H2,1H3
InChI Key:
TVNYNMWSTIOQCP-UHFFFAOYSA-N
SMILES:
COC(=O)CCCC(=O)c1ccc(cc1)F
EC Number:
924-001-9
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.231g/mol
Monoisotopic Mass:
224.085g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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