AG001543

1215074-47-7 | 1,4-Benzoxazepine, 8-bromo-2,3,4,5-tetrahydro-

AG001543

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CAS Number	1215074-47-7
Catalog Number	AG001543(AGN-PC-0J0Y5E)
Chemical Name	1,4-Benzoxazepine, 8-bromo-2,3,4,5-tetrahydro-
IUPAC Name	8-bromo-2,3,4,5-tetrahydro-1,4-benzoxazepine
InChI	InChI=1S/C9H10BrNO/c10-8-2-1-7-6-11-3-4-12-9(7)5-8/h1-2,5,11H,3-4,6H2
InChI Key	MPNXHSHDIGSPKY-UHFFFAOYSA-N
MDL Number	MFCD13186756
Molecular Formula	C9H10BrNO
Molecular Weight	228.0858
SMILES	BrC1=CC2=C(CNCCO2)C=C1
Synonyms	8-Bromo-2,3,4,5-tetrahydrobenzo[f][1,4]oxazepine, 1215074-47-7, 8-bromo-2,3,4,5-tetrahydro-1,4-benzoxazepine, CTK8C2699, KS-00000OTX, DTXSID80743660, 3915AA, ANW-68877, MFCD13186756, ZINC85221937, AKOS016005947, CS-W006871, AK-56557, DS-15100, AJ-127184, ST2419062, TC-157622, 4CH-016080, 1,4-Benzoxazepine, 8-bromo-2,3,4,5-tetrahydro-, C9H10BrNO,

Complexity	154
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	226.995g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	228.089g/mol
Monoisotopic Mass	226.995g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	21.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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