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951890-26-9 | 2-Bromo-3-(4-(Tetrahydro-pyran-2-yloxy)phenyl)-1-propene
CAS No: 951890-26-9 Catalog No: AG01EZV8 MDL No:
Product Description
Catalog Number:
AG01EZV8
Chemical Name:
2-Bromo-3-(4-(Tetrahydro-pyran-2-yloxy)phenyl)-1-propene
CAS Number:
951890-26-9
Molecular Formula:
C14H17BrO2
Molecular Weight:
297.1876
IUPAC Name:
2-[4-(2-bromoprop-2-enyl)phenoxy]oxane
InChI:
InChI=1S/C14H17BrO2/c1-11(15)10-12-5-7-13(8-6-12)17-14-4-2-3-9-16-14/h5-8,14H,1-4,9-10H2
InChI Key:
UNBYIUXWSXUGBF-UHFFFAOYSA-N
SMILES:
BrC(=C)Cc1ccc(cc1)OC1CCCCO1
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.041g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.192g/mol
Monoisotopic Mass:
296.041g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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