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Home > Fluorides > 1352721-91-5
1352721-91-5 | 4-(2-butoxyethenyl)-2-fluoro-benzoic acid methyl ester
CAS No: 1352721-91-5 Catalog No: AG01F7YT MDL No:
Product Description
Catalog Number:
AG01F7YT
Chemical Name:
4-(2-butoxyethenyl)-2-fluoro-benzoic acid methyl ester
CAS Number:
1352721-91-5
Molecular Formula:
C14H17FO3
Molecular Weight:
252.2814
IUPAC Name:
methyl 4-[(E)-2-butoxyethenyl]-2-fluorobenzoate
InChI:
InChI=1S/C14H17FO3/c1-3-4-8-18-9-7-11-5-6-12(13(15)10-11)14(16)17-2/h5-7,9-10H,3-4,8H2,1-2H3/b9-7+
InChI Key:
BBOFJRLLWHNKEJ-VQHVLOKHSA-N
SMILES:
CCCCO/C=C/c1ccc(c(c1)F)C(=O)OC
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
252.116g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.285g/mol
Monoisotopic Mass:
252.116g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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