123040-79-9
6-CHLORO-3,4-DIHYDRO-4-METHYL-3-OXO-2H-1,4-BENZOXANINE-8-CARBOXYLIC ACID
Name6-CHLORO-3,4-DIHYDRO-4-METHYL-3-OXO-2H-1,4-BENZOXANINE-8-CARBOXYLIC ACID
1Identification
【Name】
6-CHLORO-3,4-DIHYDRO-4-METHYL-3-OXO-2H-1,4-BENZOXANINE-8-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD09031399
【English Synonyms】
【Formula】
C10 H8 Cl N O4
【MolWeight】
241.629
【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)
【InChIKey】
InChIKey=ZTIKBJABRWRXFK-UHFFFAOYSA-N
【SMILES】
CN1c2cc(cc(c2OCC1=O)C(=O)O)Cl
【MOL File】
6-CHLORO-3,4-DIHYDRO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
6-CHLORO-3,4-DIHYDRO-4-METHYL-3-OXO-2H-1,4-BENZOXANINE-8-CARBOXYLIC ACID.cml