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131113-94-5 | Benzeneacetic acid, 4-fluoro-3-methyl-, methyl ester
CAS No: 131113-94-5 Catalog No: AG000VJL MDL No:
Product Description
Catalog Number:
AG000VJL
Chemical Name:
Benzeneacetic acid, 4-fluoro-3-methyl-, methyl ester
CAS Number:
131113-94-5
Molecular Formula:
C10H11FO2
Molecular Weight:
182.1915
IUPAC Name:
methyl 2-(4-fluoro-3-methylphenyl)acetate
InChI:
InChI=1S/C10H11FO2/c1-7-5-8(3-4-9(7)11)6-10(12)13-2/h3-5H,6H2,1-2H3
InChI Key:
JQGIQKMIKAVAHD-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1ccc(c(c1)C)F
Properties
Complexity:
182
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:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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