AG003PBI

3158-85-8 | Dibenzo[b,f][1,4]oxazepin-11(10H)-one

AG003PBI

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CAS Number	3158-85-8
Catalog Number	AG003PBI(AGN-PC-0JLAMN)
Chemical Name	Dibenzo[b,f][1,4]oxazepin-11(10H)-one
EC Number	221-601-6
IUPAC Name	5H-benzo[b][1,4]benzoxazepin-6-one
InChI	InChI=1S/C13H9NO2/c15-13-9-5-1-3-7-11(9)16-12-8-4-2-6-10(12)14-13/h1-8H,(H,14,15)
InChI Key	OXMPDOZBQGHTGH-UHFFFAOYSA-N
MDL Number	MFCD00005074
Molecular Formula	C13H9NO2
Molecular Weight	211.2161
NSC Number	140824
SMILES	O=C1NC2=CC=CC=C2OC3=CC=CC=C13
UNII	11B50BX482
Synonyms	3158-85-8, Dibenzo[b,f][1,4]oxazepin-11(10H)-one, 10,11-Dihydrodibenz[b,f][1,4]oxazepin-11-one, Dibenz[b,f][1,4]oxazepin-11(10H)-one, NSC140824, 5H-benzo[b][1,4]benzoxazepin-6-one, Dibenz(b,f)(1,4)oxazepin-11(10H)-one, MLS002920521, UNII-11B50BX482, OXMPDOZBQGHTGH-UHFFFAOYSA-N, 11B50BX482, 10,11-Dihydrodibenz(b,f)(1,4)oxazepin-11-one, EINECS 221-601-6, NSC 140824, DBOA-11one, ACMC-1COOA, AC1L2HY7, AC1Q6GS4, Oprea1_795575, CHEMBL55444, SCHEMBL380110, AC1Q6E24, CTK1C4917, ZINC40884, DTXSID30185470, BB_SC-03380, 11-oxo-dibenz[b,f][1,4]oxazepine, BBL010811, MFCD00005074, STK620269, AKOS005554063, O-(o-Aminophenoxy)benzoic acid lactam, 5H-benzo[b][1,5]benzoxazepin-6-one, ACM3158858, MCULE-2831870032, NSC-140824, 10H-dibenzo[b,f]1,4-oxazepin-11-one, 10H-dibenz[b,f][1,4]oxazepin-11-one, AJ-08954, AK126315, AS-40663, BP-13221, CC-03711, OR322210, SMR001798110, 10H-dibenzo[b,f][1,4]oxazepine-11-one, AX8055673, TC-172066, Dibenz[b,f][1,4]oxazepin-11-(10H)-one, FT-0767176, ST50308684, Dibenzo[b,f][1,4]oxazepin-11(10H)-one #, C-34118, 10, 11-dihydro-dibenz[b,f][1,4]oxazepin-11-one, 10,11-dihydro dibenz[b,f][1,4]oxazepine-11-one, 10,11-dihydro-dibenz[b,f][1,4]oxazepin-11-one, 10,11-dihydrodibenz [b,f][1,4]oxazepin-11-one, I01-17074, 10,11-Dihydrodibenz[b,f][1,4]oxazepin-11-one, 97%, 2-oxa-9-azatricyclo[9.4.0.0?,?]pentadeca-1(15),3,5,7,11,13-hexaen-10-one, 2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one, InChI=1/C13H9NO2/c15-13-9-5-1-3-7-11(9)16-12-8-4-2-6-10(12)14-13/h1-8H,(H,14,15, C13H9NO2, C13-H9-N-O2, CID72374, AR-1I3844, 32904-87-3,

Complexity	279
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	211.063g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	211.22g/mol
Monoisotopic Mass	211.063g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	38.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number