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132488-47-2 | Bicyclo[3.1.1]hept-2-ene, 2-(2-bromoethyl)-6,6-dimethyl-, (1R,5S)-
CAS No: 132488-47-2 Catalog No: AG0010QI MDL No:
Product Description
Catalog Number:
AG0010QI
Chemical Name:
Bicyclo[3.1.1]hept-2-ene, 2-(2-bromoethyl)-6,6-dimethyl-, (1R,5S)-
CAS Number:
132488-47-2
Molecular Formula:
C11H17Br
Molecular Weight:
229.1567
IUPAC Name:
2-(2-bromoethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene
InChI:
InChI=1S/C11H17Br/c1-11(2)9-4-3-8(5-6-12)10(11)7-9/h3,9-10H,4-7H2,1-2H3
InChI Key:
KHSVWSRFLOVLCW-UHFFFAOYSA-N
SMILES:
BrCCC1=CC[C@H]2C[C@@H]1C2(C)C
Properties
Complexity:
215
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:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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