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1605-15-8 | 7-Oxabicyclo[4.1.0]heptane, 1-(4-bromophenyl)-
CAS No: 1605-15-8 Catalog No: AG001RZ0 MDL No:
Product Description
Catalog Number:
AG001RZ0
Chemical Name:
7-Oxabicyclo[4.1.0]heptane, 1-(4-bromophenyl)-
CAS Number:
1605-15-8
Molecular Formula:
C12H13BrO
Molecular Weight:
253.1350
IUPAC Name:
1-(4-bromophenyl)-7-oxabicyclo[4.1.0]heptane
InChI:
InChI=1S/C12H13BrO/c13-10-6-4-9(5-7-10)12-8-2-1-3-11(12)14-12/h4-7,11H,1-3,8H2
InChI Key:
FGFUUZSREMEXBN-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)C12CCCCC2O1
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.015g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.139g/mol
Monoisotopic Mass:
252.015g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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