AG002TGK

26494-58-6 | 4H-1,4-Benzoxazine-4-acetic acid, 6-chloro-2,3-dihydro-3-oxo-

AG002TGK

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CAS Number	26494-58-6
Catalog Number	AG002TGK(AGN-PC-0WAMLZ)
Chemical Name	4H-1,4-Benzoxazine-4-acetic acid, 6-chloro-2,3-dihydro-3-oxo-
IUPAC Name	2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetic acid
InChI	InChI=1S/C10H8ClNO4/c11-6-1-2-8-7(3-6)12(4-10(14)15)9(13)5-16-8/h1-3H,4-5H2,(H,14,15)
InChI Key	CFZFARSJRUJYDY-UHFFFAOYSA-N
MDL Number	MFCD00665821
Molecular Formula	C10H8ClNO4
Molecular Weight	241.6278
SMILES	O=C(O)CN1C2=CC(Cl)=CC=C2OCC1=O
Synonyms	26494-58-6, (6-Chloro-3-oxo-2,3-dihydro-benzo[1,4]oxazin-4-yl)-acetic acid, 2-(6-chloro-3-oxo-2H-benzo[b][1,4]oxazin-4(3H)-yl)acetic acid, (6-chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetic acid, 2-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetic acid, 6-Chloro-2,3-dihydro-1,4-benzoxazin-3-one-4-acetic acid, 4H-1,4-benzoxazine-4-acetic acid, 6-chloro-2,3-dihydro-3-oxo-, (6-Chloro-2,3-dihydro-3-oxo-4H-1,4-benzoxazin-4-yl)acetic acid, 2-(6-chloro-3-oxo-2H-benzo[e]1,4-oxazin-4-yl)acetic acid, BAS 10189368, ACMC-1CQNR, AC1MC3XD, AC1Q75SU, AC1Q75SV, SCHEMBL12467495, CTK4F8003, KS-00000LJC, DTXSID40370895, CFZFARSJRUJYDY-UHFFFAOYSA-N, HMS3435H10, ALBB-020576, ZINC4226263, 8765AD, BBL012585, MFCD00665821, SBB010105, STK320547, AKOS000104828, MCULE-1112326557, PS-3560, AK188717, TR-044342, EU-0029941, FT-0747259, ST50208891, EN300-34802, SR-01000093508, SR-01000093508-1, (6-chloro-3-oxo-2H-1,4-benzoxazin-4-yl)acetic acid, 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetic acid, I14-106958, Z235342063, 6-Chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazine-4-acetic acid, 2-(6-Chloro-2,3-dihydro-3-oxobenzo[b][1,4]oxazin-4-yl)acetic acid, (6-Chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetic acid, AldrichCPR, C10H8ClNO4, CID2735706,

Complexity	309
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	2
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

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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