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88888-28-2 | Bicyclo[2.2.2]octanone, 1-bromo-4-methoxy-
CAS No: 88888-28-2 Catalog No: AG0049XB MDL No:
Product Description
Catalog Number:
AG0049XB
Chemical Name:
Bicyclo[2.2.2]octanone, 1-bromo-4-methoxy-
CAS Number:
88888-28-2
Molecular Formula:
C9H13BrO2
Molecular Weight:
233.1023
IUPAC Name:
1-bromo-4-methoxybicyclo[2.2.2]octan-2-one
InChI:
InChI=1S/C9H13BrO2/c1-12-8-2-4-9(10,5-3-8)7(11)6-8/h2-6H2,1H3
InChI Key:
QSSKRBOYHJJXKZ-UHFFFAOYSA-N
SMILES:
COC12CCC(CC1)(C(=O)C2)Br
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.01g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.105g/mol
Monoisotopic Mass:
232.01g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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