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Home > Fluorides > 149437-76-3
149437-76-3 | Benzenepentanoic acid, 4-fluoro-δ-oxo-
CAS No: 149437-76-3 Catalog No: AG001LPK MDL No:MFCD00667222
Product Description
Catalog Number:
AG001LPK
Chemical Name:
Benzenepentanoic acid, 4-fluoro-δ-oxo-
CAS Number:
149437-76-3
Molecular Formula:
C11H11FO3
Molecular Weight:
210.2016
MDL Number:
MFCD00667222
IUPAC Name:
5-(4-fluorophenyl)-5-oxopentanoic acid
InChI:
InChI=1S/C11H11FO3/c12-9-6-4-8(5-7-9)10(13)2-1-3-11(14)15/h4-7H,1-3H2,(H,14,15)
InChI Key:
ZBQROUOOMAMCQW-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)F)CCCC(=O)O
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.204g/mol
Monoisotopic Mass:
210.069g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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