Home Other Building Blocks 9-azatricyclo[6.2.1.0,2,7]undeca-2,4,6-triene hydrochloride

9-azatricyclo[6.2.1.0,2,7]undeca-2,4,6-triene hydrochloride

CAS No.:
111635-04-2
Catalog Number:
AG01C271
Molecular Formula:
C10H12ClN
Molecular Weight:
181.6620
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Product Description
Catalog Number:
AG01C271
Chemical Name:
9-azatricyclo[6.2.1.0,2,7]undeca-2,4,6-triene hydrochloride
CAS Number:
111635-04-2
Molecular Formula:
C10H12ClN
Molecular Weight:
181.6620
MDL Number:
MFCD20680629
IUPAC Name:
9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene;hydrochloride
InChI:
InChI=1S/C10H11N.ClH/c1-2-4-9-8(3-1)7-5-10(9)11-6-7;/h1-4,7,10-11H,5-6H2;1H
InChI Key:
CVWYBDYVLCCQSM-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)C1NCC2C1.Cl
Properties
Complexity:
166  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.066g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
181.663g/mol
Monoisotopic Mass:
181.066g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
Properties