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1379186-80-7 | 3-Fluoro-4-methylphenethyl acetate
CAS No: 1379186-80-7 Catalog No: AG01FE65 MDL No:
Product Description
Catalog Number:
AG01FE65
Chemical Name:
3-Fluoro-4-methylphenethyl acetate
CAS Number:
1379186-80-7
Molecular Formula:
C11H13FO2
Molecular Weight:
196.2181
IUPAC Name:
2-(3-fluoro-4-methylphenyl)ethyl acetate
InChI:
InChI=1S/C11H13FO2/c1-8-3-4-10(7-11(8)12)5-6-14-9(2)13/h3-4,7H,5-6H2,1-2H3
InChI Key:
WKTHNSMQVZXDMU-UHFFFAOYSA-N
SMILES:
CC(=O)OCCc1ccc(c(c1)F)C
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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