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174456-51-0 | 2H-Pyran, 2-[(6-bromo-2,3-dihydro-1H-inden-1-yl)oxy]tetrahydro-
CAS No: 174456-51-0 Catalog No: AG001ZO7 MDL No:
Product Description
Catalog Number:
AG001ZO7
Chemical Name:
2H-Pyran, 2-[(6-bromo-2,3-dihydro-1H-inden-1-yl)oxy]tetrahydro-
CAS Number:
174456-51-0
Molecular Formula:
C14H17BrO2
Molecular Weight:
297.1876
IUPAC Name:
2-[(6-bromo-2,3-dihydro-1H-inden-1-yl)oxy]oxane
InChI:
InChI=1S/C14H17BrO2/c15-11-6-4-10-5-7-13(12(10)9-11)17-14-3-1-2-8-16-14/h4,6,9,13-14H,1-3,5,7-8H2
InChI Key:
DDNRTCUQYBRVNY-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)C(CC2)OC1CCCCO1
Properties
Complexity:
259
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:
2
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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