Home Other Building Blocks 1-Bromo-3-methyladamantane

1-Bromo-3-methyladamantane

CAS No.:
702-77-2
Catalog Number:
AG0036RS
Molecular Formula:
C11H17Br
Molecular Weight:
229.1567
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Product Description
Catalog Number:
AG0036RS
Chemical Name:
1-Bromo-3-methyladamantane
CAS Number:
702-77-2
Molecular Formula:
C11H17Br
Molecular Weight:
229.1567
MDL Number:
MFCD00167799
IUPAC Name:
1-bromo-3-methyladamantane
InChI:
InChI=1S/C11H17Br/c1-10-3-8-2-9(4-10)6-11(12,5-8)7-10/h8-9H,2-7H2,1H3
InChI Key:
MXAYGTASSPYUJB-UHFFFAOYSA-N
SMILES:
CC12CC3CC(C1)CC(C2)(C3)Br
NSC Number:
255329
Properties
Complexity:
207  
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:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7  
Properties