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23537-79-3 | 1,4-Methanonaphthalene, 2-bromo-1,4-dihydro-
CAS No: 23537-79-3 Catalog No: AG002NM6 MDL No:
Product Description
Catalog Number:
AG002NM6
Chemical Name:
1,4-Methanonaphthalene, 2-bromo-1,4-dihydro-
CAS Number:
23537-79-3
Molecular Formula:
C11H9Br
Molecular Weight:
221.0932
IUPAC Name:
9-bromotricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene
InChI:
InChI=1S/C11H9Br/c12-11-6-7-5-10(11)9-4-2-1-3-8(7)9/h1-4,6-7,10H,5H2
InChI Key:
KSEPKAZNQBRMNR-UHFFFAOYSA-N
SMILES:
BrC1=CC2CC1c1c2cccc1
Properties
Complexity:
231
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:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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