AG000M8E

1245643-21-3 | 2H-3,1-Benzoxazin-2-one, 7-bromo-1,4-dihydro-4,4-dimethyl-

AG000M8E

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CAS Number	1245643-21-3
Catalog Number	AG000M8E(AGN-PC-0WAMO9)
Chemical Name	2H-3,1-Benzoxazin-2-one, 7-bromo-1,4-dihydro-4,4-dimethyl-
IUPAC Name	7-bromo-4,4-dimethyl-1H-3,1-benzoxazin-2-one
InChI	InChI=1S/C10H10BrNO2/c1-10(2)7-4-3-6(11)5-8(7)12-9(13)14-10/h3-5H,1-2H3,(H,12,13)
InChI Key	STVSVQWHHDPUEX-UHFFFAOYSA-N
MDL Number	MFCD12755798
Molecular Formula	C10H10BrNO2
Molecular Weight	256.0959
SMILES	O=C1OC(C)(C)C2=CC=C(Br)C=C2N1
Synonyms	7-bromo-4,4-dimethyl-1H-benzo[d][1,3]oxazin-2(4H)-one, 1245643-21-3, AK-37774, 2H-3,1-Benzoxazin-2-one, 7-bromo-1,4-dihydro-4,4-dimethyl-, 7-bromo-4,4-dimethyl-1H-3,1-benzoxazin-2-one, SCHEMBL15210358, STVSVQWHHDPUEX-UHFFFAOYSA-N, MFCD12755798, ZINC45328875, AKOS022177242, FCH1376171, KS-00000I43, DS-12796, AJ-110447, AX8163919, DB-012332, FT-0707239, S14-1812,

Complexity	255
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	254.989g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	256.099g/mol
Monoisotopic Mass	254.989g/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	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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