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Home > Fluorides > 113903-98-3
113903-98-3 | 2-Propenoic acid, 3-(4-fluorophenyl)-, 1,1-dimethylethyl ester
CAS No: 113903-98-3 Catalog No: AG000A1R MDL No:
Product Description
Catalog Number:
AG000A1R
Chemical Name:
2-Propenoic acid, 3-(4-fluorophenyl)-, 1,1-dimethylethyl ester
CAS Number:
113903-98-3
Molecular Formula:
C13H15FO2
Molecular Weight:
222.2554
IUPAC Name:
tert-butyl 3-(4-fluorophenyl)prop-2-enoate
InChI:
InChI=1S/C13H15FO2/c1-13(2,3)16-12(15)9-6-10-4-7-11(14)8-5-10/h4-9H,1-3H3
InChI Key:
ZEMGTQJWRWQOLU-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)C=Cc1ccc(cc1)F
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
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:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
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