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Home > Fluorides > 1314939-38-2
1314939-38-2 | Methyl 3-fluoro-5-methylbenzoylformate
CAS No: 1314939-38-2 Catalog No: AG01FCMK MDL No:
Product Description
Catalog Number:
AG01FCMK
Chemical Name:
Methyl 3-fluoro-5-methylbenzoylformate
CAS Number:
1314939-38-2
Molecular Formula:
C10H9FO3
Molecular Weight:
196.1751
IUPAC Name:
methyl 2-(3-fluoro-5-methylphenyl)-2-oxoacetate
InChI:
InChI=1S/C10H9FO3/c1-6-3-7(5-8(11)4-6)9(12)10(13)14-2/h3-5H,1-2H3
InChI Key:
GGLPTQCFQDFWNX-UHFFFAOYSA-N
SMILES:
COC(=O)C(=O)c1cc(C)cc(c1)F
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.054g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.177g/mol
Monoisotopic Mass:
196.054g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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