Home Other Building Blocks 2-azatricyclo[6.3.1.0,4,12]dodeca-1(11),8(12),9-trien-7-one hydrochloride

2-azatricyclo[6.3.1.0,4,12]dodeca-1(11),8(12),9-trien-7-one hydrochloride

CAS No.:
1087737-80-1
Catalog Number:
AG01ACHH
Molecular Formula:
C11H12ClNO
Molecular Weight:
209.6721
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Product Description
Catalog Number:
AG01ACHH
Chemical Name:
2-azatricyclo[6.3.1.0,4,12]dodeca-1(11),8(12),9-trien-7-one hydrochloride
CAS Number:
1087737-80-1
Molecular Formula:
C11H12ClNO
Molecular Weight:
209.6721
MDL Number:
MFCD26407990
IUPAC Name:
2,2a,3,4-tetrahydro-1H-benzo[cd]indol-5-one;hydrochloride
InChI:
InChI=1S/C11H11NO.ClH/c13-10-5-4-7-6-12-9-3-1-2-8(10)11(7)9;/h1-3,7,12H,4-6H2;1H
InChI Key:
KCDUCHCMMHCGQS-UHFFFAOYSA-N
SMILES:
O=C1CCC2c3c1cccc3NC2.Cl
Properties
Complexity:
238  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.061g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
209.673g/mol
Monoisotopic Mass:
209.061g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties