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42067-69-6 | 2-(bromomethyl)adamantane
CAS No: 42067-69-6 Catalog No: AG01ELTY MDL No:
Product Description
Catalog Number:
AG01ELTY
Chemical Name:
2-(bromomethyl)adamantane
CAS Number:
42067-69-6
Molecular Formula:
C11H17Br
Molecular Weight:
229.1567
IUPAC Name:
2-(bromomethyl)adamantane
InChI:
InChI=1S/C11H17Br/c12-6-11-9-2-7-1-8(4-9)5-10(11)3-7/h7-11H,1-6H2
InChI Key:
VPQAXRZNMVVHPJ-UHFFFAOYSA-N
SMILES:
BrCC1C2CC3CC1CC(C2)C3
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.051g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.161g/mol
Monoisotopic Mass:
228.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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