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20098-20-8 | Tricyclo[3.3.1.13,7]decan-2-one, 5-bromo-
CAS No: 20098-20-8 Catalog No: AG002D4E MDL No:MFCD01321097
Product Description
Catalog Number:
AG002D4E
Chemical Name:
Tricyclo[3.3.1.13,7]decan-2-one, 5-bromo-
CAS Number:
20098-20-8
Molecular Formula:
C10H13BrO
Molecular Weight:
229.1136
MDL Number:
MFCD01321097
IUPAC Name:
5-bromoadamantan-2-one
InChI:
InChI=1S/C10H13BrO/c11-10-3-6-1-7(4-10)9(12)8(2-6)5-10/h6-8H,1-5H2
InChI Key:
TXEWIOREYPSNRR-UHFFFAOYSA-N
SMILES:
O=C1C2CC3CC1CC(C2)(C3)Br
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.015g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.117g/mol
Monoisotopic Mass:
228.015g/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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