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144653-11-2 | 1,3-Dioxane, 2-(4-bromo-3-fluorophenyl)-5-(2-propen-1-yl)-, trans-
CAS No: 144653-11-2 Catalog No: AG001JXG MDL No:
Product Description
Catalog Number:
AG001JXG
Chemical Name:
1,3-Dioxane, 2-(4-bromo-3-fluorophenyl)-5-(2-propen-1-yl)-, trans-
CAS Number:
144653-11-2
Molecular Formula:
C13H14BrFO2
Molecular Weight:
301.1515
IUPAC Name:
2-(4-bromo-3-fluorophenyl)-5-prop-2-enyl-1,3-dioxane
InChI:
InChI=1S/C13H14BrFO2/c1-2-3-9-7-16-13(17-8-9)10-4-5-11(14)12(15)6-10/h2,4-6,9,13H,1,3,7-8H2
InChI Key:
HWWHEIYIERDANR-UHFFFAOYSA-N
SMILES:
C=CC[C@@H]1CO[C@H](OC1)c1ccc(c(c1)F)Br
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.016g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.155g/mol
Monoisotopic Mass:
300.016g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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