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20419-44-7 | 3a-Azonia-9b-boraphenalene (8CI,9CI)
CAS No: 20419-44-7 Catalog No: AG0029B8 MDL No:
Product Description
Catalog Number:
AG0029B8
Chemical Name:
3a-Azonia-9b-boraphenalene (8CI,9CI)
CAS Number:
20419-44-7
Molecular Formula:
C11H9BN+
Molecular Weight:
166.0069
IUPAC Name:
1-azonia-13-boratricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene
InChI:
InChI=1S/C11H9BN/c1-4-10-6-2-8-13-9-3-7-11(5-1)12(10)13/h1-9H/q+1
InChI Key:
UPQZWQOFONPOFD-UHFFFAOYSA-N
SMILES:
C1=CC2=CC=C[N+]3=CC=CC(=C1)B23
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.083g/mol
Formal Charge:
1
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.01g/mol
Monoisotopic Mass:
166.083g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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