AG00C8JK

351003-03-7 | 3-(6-Chloro-2h-1,4-benzoxazin-3(4h)-one-4-yl)propionic acid

AG00C8JK

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CAS Number	351003-03-7
Catalog Number	AG00C8JK(AGN-PC-0KKLQG)
Chemical Name	3-(6-Chloro-2h-1,4-benzoxazin-3(4h)-one-4-yl)propionic acid
IUPAC Name	3-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)propanoic acid
InChI	InChI=1S/C11H10ClNO4/c12-7-1-2-9-8(5-7)13(4-3-11(15)16)10(14)6-17-9/h1-2,5H,3-4,6H2,(H,15,16)
InChI Key	REQQIWCFXWGLDY-UHFFFAOYSA-N
MDL Number	MFCD03424566
Molecular Formula	C11H10ClNO4
Molecular Weight	255.6544
SMILES	O=C(O)CCN1C2=CC(Cl)=CC=C2OCC1=O
Synonyms	351003-03-7, 3-(6-chloro-2h-1,4-benzoxazin-3(4h)-one-4-yl)propionic acid, 3-(6-Chloro-3-oxo-2,3-dihydro-benzo[1,4]oxazin-4-yl)-propionic acid, 3-(6-Chloro-3-oxo-2H-benzo[b][1,4]oxazin-4(3H)-yl)propanoic acid, MFCD03424566, 6-chloro-2,3-dihydro-3-oxo-4h-1,4-benzoxazine-4-propionic acid, 3-(6-Chloro-2H-1,4-benzoxazin-3(4H)-one-4-yl)-propionic acid, 4H-1,4-Benzoxazine-4-propanoicacid, 6-chloro-2,3-dihydro-3-oxo-, 3-(6-chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propanoic acid, AC1MBVRE, BAS 01042658, CHEMBL4100173, SCHEMBL18259130, CTK1C1754, HMS1699N07, ZINC4242328, 1225AE, SBB003113, STK317890, AKOS000103214, ACN-049168, FS-4292, MCULE-9488901269, ACM351003037, BC4152542, TR-055322, ST50244597, A-8034, 6-CHLORO-2 3-DIHYDRO-3-OXO-4H-1 4-BENZO&, 3-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)propanoic acid, 3-(6-chloro-3-oxo-2H-1,4-benzoxazin-4-yl)propanoic acid, 3-(6-chloro-3-oxo-2H-benzo[e]1,4-oxazin-4-yl)propanoic acid, 6-Chloro-2,3-dihydro-3-oxo-4 H -1,4-benzoxazine-4-propionic acid, 6-Chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazine-4-propionic acid, 3-(6-chloro-2,3-dihydro-3-oxobenzo[b][1,4]oxazin-4-yl)propanoic acid, 3-(6-chloro-3-oxo-2H-benzo[e]1,4-oxazaperhydroin-4-yl)propanoic acid, 3-(6-chloro-3-oxo-3,4-dihydro-2h-1,4-benzoxazin-4-yl)propanoic acid, C11H10ClNO4, CID2757392, 6-Chloro-2,3-dihydro-3-oxo-4H-1,4-benzoxazine-4-propanoic acid, 6-CHLORO-23-DIHYDRO-3-OXO-4H-14-BENZO&,

Complexity	323
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	255.03g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	255.654g/mol
Monoisotopic Mass	255.03g/mol
Rotatable Bond Count	3
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	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number