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Home > Fluorides > 1313714-60-1
1313714-60-1 | 2-Pentenoic acid, 5-(4-fluorophenyl)-, methyl ester
CAS No: 1313714-60-1 Catalog No: AG000W1G MDL No:
Product Description
Catalog Number:
AG000W1G
Chemical Name:
2-Pentenoic acid, 5-(4-fluorophenyl)-, methyl ester
CAS Number:
1313714-60-1
Molecular Formula:
C12H13FO2
Molecular Weight:
208.2288
IUPAC Name:
methyl (E)-5-(4-fluorophenyl)pent-2-enoate
InChI:
InChI=1S/C12H13FO2/c1-15-12(14)5-3-2-4-10-6-8-11(13)9-7-10/h3,5-9H,2,4H2,1H3/b5-3+
InChI Key:
BHPCQASCGYNZEM-HWKANZROSA-N
SMILES:
COC(=O)C=CCCc1ccc(cc1)F
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
208.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.232g/mol
Monoisotopic Mass:
208.09g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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