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845790-48-9 | 5-(3-CHLORO-5-FLUOROPHENYL)-5-OXOVALERIC ACID
CAS No: 845790-48-9 Catalog No: AG004R08 MDL No:MFCD06201696
Product Description
Catalog Number:
AG004R08
Chemical Name:
5-(3-CHLORO-5-FLUOROPHENYL)-5-OXOVALERIC ACID
CAS Number:
845790-48-9
Molecular Formula:
C11H10ClFO3
Molecular Weight:
244.6467
MDL Number:
MFCD06201696
IUPAC Name:
5-(3-chloro-5-fluorophenyl)-5-oxopentanoic acid
InChI:
InChI=1S/C11H10ClFO3/c12-8-4-7(5-9(13)6-8)10(14)2-1-3-11(15)16/h4-6H,1-3H2,(H,15,16)
InChI Key:
XXVMGCBBZNGJEH-UHFFFAOYSA-N
SMILES:
OC(=O)CCCC(=O)c1cc(F)cc(c1)Cl
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.03g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.646g/mol
Monoisotopic Mass:
244.03g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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