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14659-60-0 | Benzoic acid, 4-fluoro-2,6-dimethyl-, methyl ester
CAS No: 14659-60-0 Catalog No: AG001E6B MDL No:MFCD06203803
Product Description
Catalog Number:
AG001E6B
Chemical Name:
Benzoic acid, 4-fluoro-2,6-dimethyl-, methyl ester
CAS Number:
14659-60-0
Molecular Formula:
C10H11FO2
Molecular Weight:
182.1915
MDL Number:
MFCD06203803
IUPAC Name:
methyl 4-fluoro-2,6-dimethylbenzoate
InChI:
InChI=1S/C10H11FO2/c1-6-4-8(11)5-7(2)9(6)10(12)13-3/h4-5H,1-3H3
InChI Key:
GFXGMGWQPPNCFM-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(C)cc(cc1C)F
Properties
Complexity:
181
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:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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