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5453-86-1
METHYL 6-NITRO-1,2-BENZISOXAZOLE-3-CARBOXYLATE
Name
METHYL 6-NITRO-1,2-BENZISOXAZOLE-3-CARBOXYLATE
Formula
C9 H6 N2 O5
MolWeight
222.155
1Identification
【Name】
METHYL 6-NITRO-1,2-BENZISOXAZOLE-3-CARBOXYLATE
【CAS】
【MDL】
MFCD00083016
【English Synonyms】
【Formula】
C9 H6 N2 O5
【MolWeight】
222.155
【Inchi】
InChI=1S/C9H6N2O5/c1-15-9(12)8-6-3-2-5(11(13)14)4-7(6)16-10-8/h2-4H,1H3
【InChIKey】
InChIKey=RDAMDINPNCIMJD-UHFFFAOYSA-N
【SMILES】
COC(=O)c1c2ccc(cc2on1)[N+](=O)[O-]
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:7
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
METHYL 6-NITRO-1,2-BENZISOXAZOLE-3-CARBOXYLATE.cml
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