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84195-41-5 | 3-Butenoic acid, 2,2,3,4-tetrafluoro-, methyl ester, (E)-
CAS No: 84195-41-5 Catalog No: AG004YIR MDL No:
Product Description
Catalog Number:
AG004YIR
Chemical Name:
3-Butenoic acid, 2,2,3,4-tetrafluoro-, methyl ester, (E)-
CAS Number:
84195-41-5
Molecular Formula:
C5H4F4O2
Molecular Weight:
172.0777
IUPAC Name:
methyl 2,2,3,4-tetrafluorobut-3-enoate
InChI:
InChI=1S/C5H4F4O2/c1-11-4(10)5(8,9)3(7)2-6/h2H,1H3
InChI Key:
UMLDTZBTDXMAQK-UHFFFAOYSA-N
SMILES:
COC(=O)C(/C(=C\F)/F)(F)F
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.015g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.079g/mol
Monoisotopic Mass:
172.015g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.2
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