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80859-69-4 | Tricyclo(3.3.1.13,7)decane, 1,3,6,6-tetrabromo-
CAS No: 80859-69-4 Catalog No: AG005IBB MDL No:
Product Description
Catalog Number:
AG005IBB
Chemical Name:
Tricyclo(3.3.1.13,7)decane, 1,3,6,6-tetrabromo-
CAS Number:
80859-69-4
Molecular Formula:
C10H12Br4
Molecular Weight:
451.8183
IUPAC Name:
1,3,6,6-tetrabromoadamantane
InChI:
InChI=1S/C10H12Br4/c11-8-1-6-2-9(12,5-8)4-7(3-8)10(6,13)14/h6-7H,1-5H2
InChI Key:
KMMLSHQAUHBYIG-UHFFFAOYSA-N
SMILES:
BrC12CC3CC(C2)(CC(C1)C3(Br)Br)Br
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
451.763g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
451.822g/mol
Monoisotopic Mass:
447.767g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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