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1260800-36-9 | Benzenepropanoic acid, 4-fluoro-2-methyl-, methyl ester
CAS No: 1260800-36-9 Catalog No: AG000RBQ MDL No:
Product Description
Catalog Number:
AG000RBQ
Chemical Name:
Benzenepropanoic acid, 4-fluoro-2-methyl-, methyl ester
CAS Number:
1260800-36-9
Molecular Formula:
C11H13FO2
Molecular Weight:
196.2181
IUPAC Name:
methyl 3-(4-fluoro-2-methylphenyl)propanoate
InChI:
InChI=1S/C11H13FO2/c1-8-7-10(12)5-3-9(8)4-6-11(13)14-2/h3,5,7H,4,6H2,1-2H3
InChI Key:
IJRWLEDLWDSWKR-UHFFFAOYSA-N
SMILES:
COC(=O)CCc1ccc(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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