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Home > Fluorides > 1006876-12-5
1006876-12-5 | Benzoic acid, 4-acetyl-2-fluoro-, methyl ester
CAS No: 1006876-12-5 Catalog No: AG01F9YT MDL No:
Product Description
Catalog Number:
AG01F9YT
Chemical Name:
Benzoic acid, 4-acetyl-2-fluoro-, methyl ester
CAS Number:
1006876-12-5
Molecular Formula:
C10H9FO3
Molecular Weight:
196.1751
IUPAC Name:
methyl 4-acetyl-2-fluorobenzoate
InChI:
InChI=1S/C10H9FO3/c1-6(12)7-3-4-8(9(11)5-7)10(13)14-2/h3-5H,1-2H3
InChI Key:
AKKZZOPOAWJQNR-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1F)C(=O)C
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:
1.5
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