AG01E6KM

70672-82-1 | 5-Bromo-3-Methylbenzo[d]Oxazol-2(3H)-One

AG01E6KM

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CAS Number	70672-82-1
Catalog Number	AG01E6KM(AGN-PC-0TYFW6)
Chemical Name	5-Bromo-3-Methylbenzo[d]Oxazol-2(3H)-One
IUPAC Name	5-bromo-3-methyl-1,3-benzoxazol-2-one
InChI	InChI=1S/C8H6BrNO2/c1-10-6-4-5(9)2-3-7(6)12-8(10)11/h2-4H,1H3
InChI Key	HJZKNNJZQLCFEI-UHFFFAOYSA-N
MDL Number	MFCD16468568
Molecular Formula	C8H6BrNO2
Molecular Weight	228.0427
NSC Number	355408
SMILES	O=C1OC2=CC=C(Br)C=C2N1C
Synonyms	5-bromo-3-methylbenzo[d]oxazol-2(3H)-one, 70672-82-1, 5-bromo-3-methyl-3H-benzooxazol-2-one, NSC355408, AC1L7LSK, SCHEMBL614398, DTXSID50320169, HJZKNNJZQLCFEI-UHFFFAOYSA-N, ZINC1582866, MFCD16468568, AKOS022324646, NSC-355408, 5-Bromo-3-methyl-2(3H)-benzoxazolone, 5-bromo-3-methyl-1,3-benzoxazol-2-one, 2(3H)-Benzoxazolone, 5-bromo-3-methyl-, CID337469,

Complexity	209
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	226.958g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	228.045g/mol
Monoisotopic Mass	226.958g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	29.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number