AG000BDP

1160102-28-2 | 2H-1,4-Benzoxazine, 6-bromo-7-fluoro-3,4-dihydro-

AG000BDP

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CAS Number	1160102-28-2
Catalog Number	AG000BDP(AGN-PC-0BGI57)
Chemical Name	2H-1,4-Benzoxazine, 6-bromo-7-fluoro-3,4-dihydro-
IUPAC Name	6-bromo-7-fluoro-3,4-dihydro-2H-1,4-benzoxazine
InChI	InChI=1S/C8H7BrFNO/c9-5-3-7-8(4-6(5)10)12-2-1-11-7/h3-4,11H,1-2H2
InChI Key	CTMRDIDZVAZIRX-UHFFFAOYSA-N
MDL Number	MFCD20441785
Molecular Formula	C8H7BrFNO
Molecular Weight	232.0497
SMILES	Brc1cc2NCCOc2cc1F
Synonyms	1160102-28-2, 6-Bromo-7-fluoro-3,4-dihydro-2H-1,4-benzoxazine, 6-bromo-7-fluoro-3,4-dihydro-2H-benzo[b][1,4]oxazine, MFCD20441785, ACMC-2099rp, SCHEMBL4125499, CTK8A9309, DTXSID30718323, CTMRDIDZVAZIRX-UHFFFAOYSA-N, ANW-16931, ZINC74937734, AKOS017975568, QC-7957, AS-43391, TC-105676, Z7750, K-1136, 2H-1,4-Benzoxazine, 6-bromo-7-fluoro-3,4-dihydro-, C8H7BrFNO,

Complexity	169
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	230.97g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	232.052g/mol
Monoisotopic Mass	230.97g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	21.3A^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-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code

Certificate of Analysis

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