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643-77-6 | Benzeneacetic acid, a-fluoro-, ethyl ester
CAS No: 643-77-6 Catalog No: AG01FBEV MDL No:
Product Description
Catalog Number:
AG01FBEV
Chemical Name:
Benzeneacetic acid, a-fluoro-, ethyl ester
CAS Number:
643-77-6
Molecular Formula:
C10H11FO2
Molecular Weight:
182.1915
IUPAC Name:
ethyl 2-fluoro-2-phenylacetate
InChI:
InChI=1S/C10H11FO2/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3
InChI Key:
QSMFFTZAVJGGTB-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(c1ccccc1)F
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.074g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.194g/mol
Monoisotopic Mass:
182.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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