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156276-23-2 | Methyl 4-fluorobenzoylformate
CAS No: 156276-23-2 Catalog No: AG01FF79 MDL No:
Product Description
Catalog Number:
AG01FF79
Chemical Name:
Methyl 4-fluorobenzoylformate
CAS Number:
156276-23-2
Molecular Formula:
C9H7FO3
Molecular Weight:
182.1485
IUPAC Name:
methyl 2-(4-fluorophenyl)-2-oxoacetate
InChI:
InChI=1S/C9H7FO3/c1-13-9(12)8(11)6-2-4-7(10)5-3-6/h2-5H,1H3
InChI Key:
QQJWGLFEBYVMLI-UHFFFAOYSA-N
SMILES:
COC(=O)C(=O)c1ccc(cc1)F
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.038g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.15g/mol
Monoisotopic Mass:
182.038g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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