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Home > Fluorides > 131061-12-6
131061-12-6 | 2-Propenoic acid, 3-(4-fluorophenyl)-, butyl ester, (2E)-
CAS No: 131061-12-6 Catalog No: AG000VGH MDL No:
Product Description
Catalog Number:
AG000VGH
Chemical Name:
2-Propenoic acid, 3-(4-fluorophenyl)-, butyl ester, (2E)-
CAS Number:
131061-12-6
Molecular Formula:
C13H15FO2
Molecular Weight:
222.2554
IUPAC Name:
butyl (E)-3-(4-fluorophenyl)prop-2-enoate
InChI:
InChI=1S/C13H15FO2/c1-2-3-10-16-13(15)9-6-11-4-7-12(14)8-5-11/h4-9H,2-3,10H2,1H3/b9-6+
InChI Key:
IYEAFHBANGFCLU-RMKNXTFCSA-N
SMILES:
CCCCOC(=O)/C=C/c1ccc(cc1)F
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
222.106g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.259g/mol
Monoisotopic Mass:
222.106g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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