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2113891-27-1 | Methyl 3,3-difluoro-3-(2-fluorophenyl)propanoate
CAS No: 2113891-27-1 Catalog No: AG01F9MR MDL No:
Product Description
Catalog Number:
AG01F9MR
Chemical Name:
Methyl 3,3-difluoro-3-(2-fluorophenyl)propanoate
CAS Number:
2113891-27-1
Molecular Formula:
C10H9F3O2
Molecular Weight:
218.1725
IUPAC Name:
methyl 3,3-difluoro-3-(2-fluorophenyl)propanoate
InChI:
InChI=1S/C10H9F3O2/c1-15-9(14)6-10(12,13)7-4-2-3-5-8(7)11/h2-5H,6H2,1H3
InChI Key:
PEPLUBMTLUOHMD-UHFFFAOYSA-N
SMILES:
COC(=O)CC(c1ccccc1F)(F)F
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.055g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.175g/mol
Monoisotopic Mass:
218.055g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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