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Home > Bromides > 1332347-31-5
1332347-31-5 | 1-Bromo-3-[2-(1,3-dioxan-2-yl)ethoxy]benzene
CAS No: 1332347-31-5 Catalog No: AG01ES7S MDL No:
Product Description
Catalog Number:
AG01ES7S
Chemical Name:
1-Bromo-3-[2-(1,3-dioxan-2-yl)ethoxy]benzene
CAS Number:
1332347-31-5
Molecular Formula:
C12H15BrO3
Molecular Weight:
287.1497
IUPAC Name:
2-[2-(3-bromophenoxy)ethyl]-1,3-dioxane
InChI:
InChI=1S/C12H15BrO3/c13-10-3-1-4-11(9-10)14-8-5-12-15-6-2-7-16-12/h1,3-4,9,12H,2,5-8H2
InChI Key:
YDIDGUCMCQCOGT-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)OCCC1OCCCO1
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.02g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.153g/mol
Monoisotopic Mass:
286.02g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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