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10075-06-6 | 2-Butenoic acid, 4,4,4-trifluoro-3-phenyl-, ethyl ester
CAS No: 10075-06-6 Catalog No: AG0002SN MDL No:
Product Description
Catalog Number:
AG0002SN
Chemical Name:
2-Butenoic acid, 4,4,4-trifluoro-3-phenyl-, ethyl ester
CAS Number:
10075-06-6
Molecular Formula:
C12H11F3O2
Molecular Weight:
244.2097
IUPAC Name:
ethyl 4,4,4-trifluoro-3-phenylbut-2-enoate
InChI:
InChI=1S/C12H11F3O2/c1-2-17-11(16)8-10(12(13,14)15)9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChI Key:
SNOHGJYJJUSAKS-UHFFFAOYSA-N
SMILES:
CCOC(=O)C=C(C(F)(F)F)c1ccccc1
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.071g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.213g/mol
Monoisotopic Mass:
244.071g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.7
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