AG00DDYY

50892-62-1 | 8-CHLORO-5,10-DIHYDRODIBENZO[B,E][1,4]DIAZEPIN-11-ONE

AG00DDYY

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CAS Number	50892-62-1
Catalog Number	AG00DDYY(AGN-PC-0KY167)
Chemical Name	8-CHLORO-5,10-DIHYDRODIBENZO[B,E][1,4]DIAZEPIN-11-ONE
EC Number	700-018-5
IUPAC Name	3-chloro-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one
InChI	InChI=1S/C13H9ClN2O/c14-8-5-6-11-12(7-8)16-13(17)9-3-1-2-4-10(9)15-11/h1-7,15H,(H,16,17)
InChI Key	YVWNDABPZGGQFE-UHFFFAOYSA-N
MDL Number	MFCD01863368
Molecular Formula	C13H9ClN2O
Molecular Weight	244.6764
SMILES	O=C1C2=CC=CC=C2NC3=CC=C(Cl)C=C3N1
Synonyms	50892-62-1, 8-Chloro-5,10-dihydro-11H-dibenzo[b,e][1,4]-diazepin-11-one, 8-Chloro-5,10-dihydrodibenzo[b,e][1,4]diazepin-11-one, 8-Chloro-5,10-Dihydro-11h-Dibenzo[b,E][1,4]diazepin-11-One, 3-chloro-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one, CHEMBL396034, 8-CHLORO-5H-DIBENZO[B,E][1,4]DIAZEPIN-11(10H)-ONE, 8-Chloro-5,10-dihydrodebenzo[b,e][1,4]diazepin-11-one, 8-CHLORO-11-OXO-10,11-DIHYDRO-5H-DIBENZO-1,4-DIAZEPINE, YVWNDABPZGGQFE-UHFFFAOYSA-N, Clozapine Impurity A, PubChem15684, AC1MTOO1, Chk1_8, Oprea1_816901, SCHEMBL1368761, CTK6H1677, DTXSID10394689, KS-000025WY, ZINC2387146, ANW-59981, BDBM50218734, MFCD01863368, AKOS000282887, AB10377, AC-5494, GS-3003, VZ31016, ACM50892621, AJ-35436, AN-10913, BC205678, SC-43871, AB0008575, AX8003297, DB-051857, FT-0621521, M-1655, 8-Chloro-11-oxo-5H-dibenzo[b,e][1,4]diazepine, 892C621, A828333, C-14847, I01-0072, 3-chloranyl-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one, 8-chloro-5,10-dihydro-dibenzo[b,e][1,4]diazepin-11-one, 8-Chloro-5,10-dihydro-dibenzo[b,e][1,4]diazepine-11-one, 8-Chloro-5,10-dihydrodibenzo[b,f][1,4]diazepin-11-one, 8-CHLORO-5,10-DIHYDRO-11H-DIBENZO[B,E][1,4]-DIAZEP, 8-Chloro-5,10-dihydro-11H-dibenzo[b,e][1,4]-diazepin-11one, 8-CHLORO-11-OXO-10, 11-DIHYDRO-5H-DIBENZO-1,4-DIAZEPIN, 8-chloro-5,10-dihydro-11H-dibenzo(b,e)(1,4)-diazepine-11-one, 8-Chloro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepine-11-one, 6-chloro-2,9-diazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one, HK6, Clozapine EP Impurity A, C13H9ClN2O, CID3653116, CS-O-07695, CID 3653116, EC 700-018-5, 8-Chloro-5,10-dihydro-11H-dibenzo(b,E)(1,4)diazepin-11-one, 8-Chloro-5, 10-dihydro-11H-dibenzo (b, E) (1, 4) diazepin-11-one,

Complexity	310
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	244.04g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	244.678g/mol
Monoisotopic Mass	244.04g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	41.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number