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70260-26-3 | Ethyl 3,3-difluoro-3-phenylpropanoate
CAS No: 70260-26-3 Catalog No: AG01FD9F MDL No:
Product Description
Catalog Number:
AG01FD9F
Chemical Name:
Ethyl 3,3-difluoro-3-phenylpropanoate
CAS Number:
70260-26-3
Molecular Formula:
C11H12F2O2
Molecular Weight:
214.2086
IUPAC Name:
ethyl 3,3-difluoro-3-phenylpropanoate
InChI:
InChI=1S/C11H12F2O2/c1-2-15-10(14)8-11(12,13)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChI Key:
XKQCTMJHHLZIRA-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(c1ccccc1)(F)F
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.081g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.212g/mol
Monoisotopic Mass:
214.081g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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