Name: Name:1,3-Dioxane, 2-(4-bromo-3-fluorophenyl)-5-butyl-
Brand: Angene
SKU: AG0011O5
Rating: 90 (10 reviews)

1,3-Dioxane, 2-(4-bromo-3-fluorophenyl)-5-butyl-

CAS No.:

1363339-35-8

Catalog Number:

AG0011O5

Molecular Formula:

C14H18BrFO2

Molecular Weight:

317.1939

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

MDL Number:

MFCD28291814

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

Complexity:

244

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

316.047g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

317.198g/mol

Monoisotopic Mass:

316.047g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

18.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.4