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14651-42-4

14651-42-4 | Tricyclo[3.3.1.13,7]decane, 1-(bromomethyl)-

CAS No: 14651-42-4 Catalog No: AG001E2S MDL No:MFCD00185303

Product Description

Catalog Number:
AG001E2S
Chemical Name:
Tricyclo[3.3.1.13,7]decane, 1-(bromomethyl)-
CAS Number:
14651-42-4
Molecular Formula:
C11H17Br
Molecular Weight:
229.1567
MDL Number:
MFCD00185303
IUPAC Name:
1-(bromomethyl)adamantane
InChI:
InChI=1S/C11H17Br/c12-7-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10H,1-7H2
InChI Key:
RLRBYCAVZBQANU-UHFFFAOYSA-N
SMILES:
BrCC12CC3CC(C2)CC(C1)C3

Properties

Complexity:
156  
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:
3.9  

Literature

Title Journal
1-(1-Adamantylmeth-yl)-1H-benzimidazole. Acta crystallographica. Section E, Structure reports online 20111101
1-(Bromo-meth-yl)adamantane. Acta crystallographica. Section E, Structure reports online 20110701

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