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16512-03-1 | 3,5-Methano-2H-cyclopenta[b]furan-2-one, 6-bromohexahydro-, (3R,3aS,5R,6R,6aR)-rel-
CAS No: 16512-03-1 Catalog No: AG001V8X MDL No:
Product Description
Catalog Number:
AG001V8X
Chemical Name:
3,5-Methano-2H-cyclopenta[b]furan-2-one, 6-bromohexahydro-, (3R,3aS,5R,6R,6aR)-rel-
CAS Number:
16512-03-1
Molecular Formula:
C8H9BrO2
Molecular Weight:
217.0599
IUPAC Name:
2-bromo-4-oxatricyclo[4.2.1.03,7]nonan-5-one
InChI:
InChI=1S/C8H9BrO2/c9-6-3-1-4-5(2-3)8(10)11-7(4)6/h3-7H,1-2H2
InChI Key:
ZFCNOHNDCYYXIK-UHFFFAOYSA-N
SMILES:
O=C1O[C@@H]2[C@@H]3[C@H]1C[C@H]([C@H]2Br)C3
NSC Number:
98294
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.979g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.062g/mol
Monoisotopic Mass:
215.979g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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