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1378814-52-8 | 3-Fluoro-6-methylphenethyl acetate
CAS No: 1378814-52-8 Catalog No: AG01FE5V MDL No:
Product Description
Catalog Number:
AG01FE5V
Chemical Name:
3-Fluoro-6-methylphenethyl acetate
CAS Number:
1378814-52-8
Molecular Formula:
C11H13FO2
Molecular Weight:
196.2181
IUPAC Name:
2-(5-fluoro-2-methylphenyl)ethyl acetate
InChI:
InChI=1S/C11H13FO2/c1-8-3-4-11(12)7-10(8)5-6-14-9(2)13/h3-4,7H,5-6H2,1-2H3
InChI Key:
HOQCHRZNNHWRNC-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1CCOC(=O)C)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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