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1378616-63-7 | 4-Fluoro-2-methylphenethyl acetate
CAS No: 1378616-63-7 Catalog No: AG01FE5O MDL No:
Product Description
Catalog Number:
AG01FE5O
Chemical Name:
4-Fluoro-2-methylphenethyl acetate
CAS Number:
1378616-63-7
Molecular Formula:
C11H13FO2
Molecular Weight:
196.2181
IUPAC Name:
2-(4-fluoro-2-methylphenyl)ethyl acetate
InChI:
InChI=1S/C11H13FO2/c1-8-7-11(12)4-3-10(8)5-6-14-9(2)13/h3-4,7H,5-6H2,1-2H3
InChI Key:
BLMFFIDOVPDZAY-UHFFFAOYSA-N
SMILES:
CC(=O)OCCc1ccc(cc1C)F
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.09g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.221g/mol
Monoisotopic Mass:
196.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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