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Home > Bromides > 1443349-45-8
1443349-45-8 | 2-[2-(4-Bromo-3-methyl-phenoxy)ethyl]-1,3-dioxane
CAS No: 1443349-45-8 Catalog No: AG01F9CA MDL No:
Product Description
Catalog Number:
AG01F9CA
Chemical Name:
2-[2-(4-Bromo-3-methyl-phenoxy)ethyl]-1,3-dioxane
CAS Number:
1443349-45-8
Molecular Formula:
C13H17BrO3
Molecular Weight:
301.1763
IUPAC Name:
2-[2-(4-bromo-3-methylphenoxy)ethyl]-1,3-dioxane
InChI:
InChI=1S/C13H17BrO3/c1-10-9-11(3-4-12(10)14)15-8-5-13-16-6-2-7-17-13/h3-4,9,13H,2,5-8H2,1H3
InChI Key:
GAENTCRZYPOHJK-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1C)OCCC1OCCCO1
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.036g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.18g/mol
Monoisotopic Mass:
300.036g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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