AG000JZL

123040-79-9 | 2H-1,4-Benzoxazine-8-carboxylic acid, 6-chloro-3,4-dihydro-4-methyl-3-oxo-

AG000JZL

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CAS Number	123040-79-9
Catalog Number	AG000JZL(AGN-PC-002I0L)
Chemical Name	2H-1,4-Benzoxazine-8-carboxylic acid, 6-chloro-3,4-dihydro-4-methyl-3-oxo-
IUPAC Name	6-chloro-4-methyl-3-oxo-1,4-benzoxazine-8-carboxylic acid
InChI	InChI=1S/C10H8ClNO4/c1-12-7-3-5(11)2-6(10(14)15)9(7)16-4-8(12)13/h2-3H,4H2,1H3,(H,14,15)
InChI Key	ZTIKBJABRWRXFK-UHFFFAOYSA-N
MDL Number	MFCD09031399
Molecular Formula	C10H8ClNO4
Molecular Weight	241.6278
SMILES	CN1C(=O)COC2=C(C=C(Cl)C=C12)C(O)=O
Synonyms	123040-79-9, 6-Chloro-4-methyl-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-8-carboxylic acid, 6-Chloro-3,4-dihydro-4-methyl-3-oxo-2H-1,4-benzoxanine-8-carboxylic acid, 6-Chloro-3,4-Dihydro-4-Methyl-3-Oxo-2H-1,4-Benzoxazine-8-Carboxylic Acid, 6-chloro-4-methyl-3-oxo-1,4-benzoxazine-8-carboxylic acid, 2H-1,4-Benzoxazine-8-carboxylicacid, 6-chloro-3,4-dihydro-4-methyl-3-oxo-, 6-Chloro-4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-8-carboxylic acid, ZTIKBJABRWRXFK-UHFFFAOYSA-N, ACMC-20mqd8, SCHEMBL7288619, Jsp001548, CTK0H4415, DTXSID90563851, BCP13858, KS-00000IQ3, MFCD09031399, ZINC21993077, AKOS015914530, AC-7759, AN-8698, LS40800, AJ-79818, AK-56497, AS-15122, O161, SC-62939, AX8017833, FT-0702978, ST24045296, 040C799, C-36220, I14-42115, 6-Chloro-3,4-dihydro-4-methyl-3-oxy-2H-1,4-benzoxa, 2H-1,4-Benzoxanine-8-carboxylicacid-6-chloro-3,4-dihydro-4-methyl-3-oxo-, 2H-1,4-Benzoxazine-8-carboxylic acid, 6-chloro-3,4-dihydro-4-methyl-3-oxo-, 6-chloro-3,4-dihydro-4-methyl-3-oxo-2H-benzo[b][1,4]oxazine-8-carboxylic acid, C10H8ClNO4, cc-484,

Complexity	322
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	241.014g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	241.627g/mol
Monoisotopic Mass	241.014g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

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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