AG00EL2J

5755-05-5 | 7-BroMo-2,3-dihydro-1,4-benzoxazepin-5(4H)-one

AG00EL2J

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CAS Number	5755-05-5
Catalog Number	AG00EL2J(AGN-PC-0D9Y9D)
Chemical Name	7-BroMo-2,3-dihydro-1,4-benzoxazepin-5(4H)-one
IUPAC Name	7-bromo-3,4-dihydro-2H-1,4-benzoxazepin-5-one
InChI	InChI=1S/C9H8BrNO2/c10-6-1-2-8-7(5-6)9(12)11-3-4-13-8/h1-2,5H,3-4H2,(H,11,12)
InChI Key	ZTPNIBLOOMKHQJ-UHFFFAOYSA-N
MDL Number	MFCD14705088
Molecular Formula	C9H8BrNO2
Molecular Weight	242.0693
SMILES	O=C1NCCOC2=CC=C(Br)C=C12
Synonyms	5755-05-5, 7-Bromo-3,4-dihydrobenzo[f][1,4]oxazepin-5(2H)-one, 7-bromo-2,3,4,5-tetrahydro-1,4-benzoxazepin-5-one, 7-Bromo-3,4-dihydro-1,4-benzoxazepin-5(2H)-one, 7-Bromo-2,3-dihydro-1,4-benzoxazepin-5(4H)-one, 1,4-Benzoxazepin-5(2H)-one, 7-bromo-3,4-dihydro-, SCHEMBL2983127, DTXSID40733648, ZTPNIBLOOMKHQJ-UHFFFAOYSA-N, MFCD14705088, RW2677, ZINC88190231, AKOS021983050, ACN-028971, SB18091, AJ-128187, W-4641, F2147-8477, Z2509351220,

Complexity	210
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	240.974g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	242.072g/mol
Monoisotopic Mass	240.974g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	38.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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