AG002TJM

26518-76-3 | 2H-1,4-Benzoxazin-3(4H)-one, 6-(2-chloroacetyl)-

AG002TJM

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CAS Number	26518-76-3
Catalog Number	AG002TJM(AGN-PC-0KKQ8Z)
Chemical Name	2H-1,4-Benzoxazin-3(4H)-one, 6-(2-chloroacetyl)-
IUPAC Name	6-(2-chloroacetyl)-4H-1,4-benzoxazin-3-one
InChI	InChI=1S/C10H8ClNO3/c11-4-8(13)6-1-2-9-7(3-6)12-10(14)5-15-9/h1-3H,4-5H2,(H,12,14)
InChI Key	MIAHXWVABDHISZ-UHFFFAOYSA-N
MDL Number	MFCD01321312
Molecular Formula	C10H8ClNO3
Molecular Weight	225.6284
SMILES	ClCC(C1=CC2=C(OCC(N2)=O)C=C1)=O
Synonyms	26518-76-3, 6-(2-chloroacetyl)-2H-1,4-benzoxazin-3(4H)-one, 6-(Chloroacetyl)-2H-1,4-benzoxazin-3(4H)-one, 6-(2-chloroacetyl)-2H-benzo[b][1,4]oxazin-3(4H)-one, 6-(2-chloroacetyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one, 6-(2-Chloro-acetyl)-4H-benzo[1,4]oxazin-3-one, 6-(2-chloroacetyl)-2H,4H-benzo[e]1,4-oxazin-3-one, chloroacetylbenzoxazinone, ACMC-20am16, AC1MC9U5, MLS000780111, SCHEMBL532500, CHEMBL1399683, CTK4F8054, DTXSID90377455, MIAHXWVABDHISZ-UHFFFAOYSA-N, ACT08272, ZINC3882623, 8773AD, BBL029237, MFCD01321312, SBB003321, STK660179, AKOS000120938, MCULE-7616969041, RP13022, KS-0000211G, SMR000420294, TR-012021, FT-0680698, ST50403130, 6-(2-chloroacetyl)-4H-1,4-benzoxazin-3-one, K-6859, 6-(2-Chloroacetyl)-2h-benzo[1,4]oxazin-3-one, 6-(2-chloroethanoyl)-2H-benz[1,4]oxazin-3-one, 6-(2-chloroethanoyl)-4H-benzo[1,4]oxazin-3-one, 8Y-0030, AQ-358/40214357, SR-01000059904, 6-(2-chloro-ethanoyl)-4H-benzo[1,4]oxazin-3-one, J-016460, J-517992, SR-01000059904-1, 2H-1,4-Benzoxazin-3(4H)-one,6-(2-chloroacetyl)-, 6-(2-chloroacetyl)-2H-1,4-benzoxazin-3-(4H)-one, I01-14390, Z57042003, 2H-1,4-Benzoxazin-3(4H)-one, 6-(2-chloroacetyl)-, 6-(2-chloroacetyl)-2,4-dihydro-1,4-benzoxazin-3-one, 6-(Chloroacetyl)-2H-1,4-benzoxazin-3(4H)-one, 98%, C10H8ClNO3, ZINC03882623, CID2764458, C3097,

Complexity	282
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	225.019g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	225.628g/mol
Monoisotopic Mass	225.019g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	55.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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