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Home > Fluorides > 1214363-24-2
1214363-24-2 | Benzoic acid, 2-fluoro-3-methyl-, ethyl ester
CAS No: 1214363-24-2 Catalog No: AG0014WT MDL No:
Product Description
Catalog Number:
AG0014WT
Chemical Name:
Benzoic acid, 2-fluoro-3-methyl-, ethyl ester
CAS Number:
1214363-24-2
Molecular Formula:
C10H11FO2
Molecular Weight:
182.1915
IUPAC Name:
ethyl 2-fluoro-3-methylbenzoate
InChI:
InChI=1S/C10H11FO2/c1-3-13-10(12)8-6-4-5-7(2)9(8)11/h4-6H,3H2,1-2H3
InChI Key:
WLYRVQPSKLRXRR-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cccc(c1F)C
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:
2.6
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