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15825-92-0 | Bicyclo[4.4.1]undeca-1,3,5,7,9-pentaene, 2-bromo-
CAS No: 15825-92-0 Catalog No: AG001Q33 MDL No:
Product Description
Catalog Number:
AG001Q33
Chemical Name:
Bicyclo[4.4.1]undeca-1,3,5,7,9-pentaene, 2-bromo-
CAS Number:
15825-92-0
Molecular Formula:
C11H9Br
Molecular Weight:
221.0932
IUPAC Name:
2-bromobicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaene
InChI:
InChI=1S/C11H9Br/c12-11-7-3-5-9-4-1-2-6-10(11)8-9/h1-7H,8H2
InChI Key:
WPTHZLXIKXGKSB-UHFFFAOYSA-N
SMILES:
Brc1cccc2Cc1cccc2
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.989g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.097g/mol
Monoisotopic Mass:
219.989g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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