955-54-4 Purity
96%
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The molecular formula is C13H10Cl2N2.
The synonyms are 3,8-Dichloro-6,11-dihydro-5H-dibenzo[c,f][1,2]diazepine, 955-66-8, KNCSFVPWGXYVKA-UHFFFAOYSA-N, and 5H-Dibenzo[c,f][1,2]diazepine, 3,8-dichloro-6,11-dihydro-.
The molecular weight is 265.13 g/mol.
The IUPAC name is 3,8-dichloro-6,11-dihydro-5H-benzo[c][1,2]benzodiazepine.
The InChI is InChI=1S/C13H10Cl2N2/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)17-16-12(8)6-10/h1-4,6-7,16-17H,5H2.
The InChIKey is KNCSFVPWGXYVKA-UHFFFAOYSA-N.
The canonical SMILES is C1C2=C(C=C(C=C2)Cl)NNC3=C1C=CC(=C3)Cl.
The XLogP3-AA value is 5.
It has 2 Hydrogen Bond Donor Count.
It has 0 Rotatable Bond Count.
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