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66077-98-3 | 1-bromobicyclo[3.3.1]nonan-3-one
CAS No: 66077-98-3 Catalog No: AG01ELSV MDL No:MFCD28024225
Product Description
Catalog Number:
AG01ELSV
Chemical Name:
1-bromobicyclo[3.3.1]nonan-3-one
CAS Number:
66077-98-3
Molecular Formula:
C9H13BrO
Molecular Weight:
217.1029
MDL Number:
MFCD28024225
IUPAC Name:
1-bromobicyclo[3.3.1]nonan-3-one
InChI:
InChI=1S/C9H13BrO/c10-9-3-1-2-7(5-9)4-8(11)6-9/h7H,1-6H2
InChI Key:
QPXRGUYAQFPXGX-UHFFFAOYSA-N
SMILES:
O=C1CC2CCCC(C1)(C2)Br
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.015g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.106g/mol
Monoisotopic Mass:
216.015g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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