AG005GCF

7160-97-6 | 1,5-Benzoxazepine, 2,3,4,5-tetrahydro-

AG005GCF

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CAS Number	7160-97-6
Catalog Number	AG005GCF(AGN-PC-0JT6UZ)
Chemical Name	1,5-Benzoxazepine, 2,3,4,5-tetrahydro-
IUPAC Name	2,3,4,5-tetrahydro-1,5-benzoxazepine
InChI	InChI=1S/C9H11NO/c1-2-5-9-8(4-1)10-6-3-7-11-9/h1-2,4-5,10H,3,6-7H2
InChI Key	HYLJXJSMGIOVIK-UHFFFAOYSA-N
MDL Number	MFCD09832134
Molecular Formula	C9H11NO
Molecular Weight	149.1897
SMILES	C1COc2c(NC1)cccc2
Synonyms	2,3,4,5-Tetrahydro-1,5-benzoxazepine, 7160-97-6, 1,5-Benzoxazepine, 2,3,4,5-tetrahydro-, 2,3,4,5-tetrahydrobenzo[b][1,4]oxazepine, HYLJXJSMGIOVIK-UHFFFAOYSA-N, AC1LB7HG, SCHEMBL346720, AC1Q1I95, CTK2G2530, HYLJXJSMGIOVIK-UHFFFAOYSA-, 1334AJ, MFCD09832134, VT1384, ZINC23670817, AKOS006239785, MCULE-2058452145, AS-54758, SC-36095, 2,3,4,5-Tetrahydro-1,5-benzoxazepine #, 1,3,4,5-Tetrahydro-5-oxa-benzo[b]azepine, EN300-60830, 93T069, Z-6021, 6,7,8,9-tetrahydro-5-oxa-9-aza-benzocycloheptene, Z1578014291, InChI=1/C9H11NO/c1-2-5-9-8(4-1)10-6-3-7-11-9/h1-2,4-5,10H,3,6-7H2, C9H11NO, CID577752, 1,2,3,5-Tetrahydro-benzo[e][1,4]oxazepine, 3693-06-9,

Complexity	127
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	149.084g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	149.193g/mol
Monoisotopic Mass	149.084g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	21.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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