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Home > Bromides > 1363339-35-8
1363339-35-8 | 1,3-Dioxane, 2-(4-bromo-3-fluorophenyl)-5-butyl-
CAS No: 1363339-35-8 Catalog No: AG0011O5 MDL No:
Product Description
Catalog Number:
AG0011O5
Chemical Name:
1,3-Dioxane, 2-(4-bromo-3-fluorophenyl)-5-butyl-
CAS Number:
1363339-35-8
Molecular Formula:
C14H18BrFO2
Molecular Weight:
317.1939
IUPAC Name:
2-(4-bromo-3-fluorophenyl)-5-butyl-1,3-dioxane
InChI:
InChI=1S/C14H18BrFO2/c1-2-3-4-10-8-17-14(18-9-10)11-5-6-12(15)13(16)7-11/h5-7,10,14H,2-4,8-9H2,1H3
InChI Key:
UQPFFOMFEDRJOH-UHFFFAOYSA-N
SMILES:
CCCCC1COC(OC1)c1ccc(c(c1)F)Br
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.047g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.198g/mol
Monoisotopic Mass:
316.047g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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