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81002-30-4 | Benzene, [3,3-diethoxy-1-(trifluoromethyl)-1,2-propadienyl]-
CAS No: 81002-30-4 Catalog No: AG0056MB MDL No:
Product Description
Catalog Number:
AG0056MB
Chemical Name:
Benzene, [3,3-diethoxy-1-(trifluoromethyl)-1,2-propadienyl]-
CAS Number:
81002-30-4
Molecular Formula:
C14H15F3O2
Molecular Weight:
272.2629
IUPAC Name:
(4,4-diethoxy-1,1,1-trifluorobuta-2,3-dien-2-yl)benzene
InChI:
InChI=1S/C14H15F3O2/c1-3-18-13(19-4-2)10-12(14(15,16)17)11-8-6-5-7-9-11/h5-9H,3-4H2,1-2H3
InChI Key:
NMUMRZYUYBSBGB-UHFFFAOYSA-N
SMILES:
CCOC(=C=C(C(F)(F)F)c1ccccc1)OCC
Properties
Complexity:
327
Compound Is Canonicalized:
No
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.102g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.267g/mol
Monoisotopic Mass:
272.102g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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