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1099636-88-0 | Ethyl 3-(3,4-difluoro-phenoxy)propanoate
CAS No: 1099636-88-0 Catalog No: AG01FBRZ MDL No:
Product Description
Catalog Number:
AG01FBRZ
Chemical Name:
Ethyl 3-(3,4-difluoro-phenoxy)propanoate
CAS Number:
1099636-88-0
Molecular Formula:
C11H12F2O3
Molecular Weight:
230.2080
IUPAC Name:
ethyl 3-(3,4-difluorophenoxy)propanoate
InChI:
InChI=1S/C11H12F2O3/c1-2-15-11(14)5-6-16-8-3-4-9(12)10(13)7-8/h3-4,7H,2,5-6H2,1H3
InChI Key:
JTMZURJEFFCQPK-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCOc1ccc(c(c1)F)F
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.075g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.211g/mol
Monoisotopic Mass:
230.075g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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