133554-24-2
METHYL 4-(5-NITRO-6-HYDROXYBENZOXAZOL-2-YL)BENZOATE
NameMETHYL 4-(5-NITRO-6-HYDROXYBENZOXAZOL-2-YL)BENZOATE
1Identification
【Name】
METHYL 4-(5-NITRO-6-HYDROXYBENZOXAZOL-2-YL)BENZOATE
【CAS】
【MDL】
MFCD09750972
【English Synonyms】
【Formula】
C15 H10 N2 O6
【MolWeight】
314.252
【Inchi】
InChI=1S/C15H10N2O6/c1-22-15(19)9-4-2-8(3-5-9)14-16-10-6-11(17(20)21)12(18)7-13(10)23-14/h2-7,18H,1H3
【InChIKey】
InChIKey=QUEPCUKXPKJVKJ-UHFFFAOYSA-N
【SMILES】
COC(=O)c1ccc(cc1)c2nc3cc(c(cc3o2)O)[N+](=O)[O-]
【MOL File】
METHYL 4-(5-NITRO-6-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:8
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
METHYL 4-(5-NITRO-6-HYDROXYBENZOXAZOL-2-YL)BENZOATE.cml