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19213-98-0 | Tricyclo[3.3.1.13,7]decan-2-one, 4-bromo-
CAS No: 19213-98-0 Catalog No: AG002FOQ MDL No:
Product Description
Catalog Number:
AG002FOQ
Chemical Name:
Tricyclo[3.3.1.13,7]decan-2-one, 4-bromo-
CAS Number:
19213-98-0
Molecular Formula:
C10H13BrO
Molecular Weight:
229.1136
IUPAC Name:
4-bromoadamantan-2-one
InChI:
InChI=1S/C10H13BrO/c11-9-6-1-5-2-7(4-6)10(12)8(9)3-5/h5-9H,1-4H2
InChI Key:
FTYOJSPBIJRJOB-UHFFFAOYSA-N
SMILES:
BrC1C2CC3CC1C(=O)C(C2)C3
Properties
Complexity:
238
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:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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