10,11-Dichloro-2,7,9,12-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraene

HCID 296409

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Basic information

CAS: 58885-19-1
Standard SMILES: Clc1nc2nc3n(c2nc1Cl)CCC3
InChIKey: KOCHMBKRMMXQDV-UHFFFAOYSA-N
Molecular formula: C8H6Cl2N4
Average molar mass: 229.06 g/mol
Monoisotopic mass: 227.9969516

Names & identifiers

Preferred name: 10,11-Dichloro-2,7,9,12-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraene
IUPAC: 10,11-dichloro-2,7,9,12-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraene

Names & synonyms

MLS00075636258885-19-1NSC166547CHEMBL1542774DTXSID40304630HMS2885D14NSC-166547SMR0005286962,3-Dichloro-7,8-dihydro-6H-pyrrolo[1',2':1,2]imidazo[4,5-b]pyrazine

Database identifiers

CAS: 58885-19-1
PubChem CID: 296409
DTXSID: DTXSID40304630
ChEMBL: CHEMBL1542774

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 43.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 14
Formal charge: 0
Complexity: 239

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