956758-72-8
5-METHYL-4-[(4-NITRO-1H-PYRAZOL-1-YL)METHYL]ISOXAZOLE-3-CARBOXYLIC ACID
Name
5-METHYL-4-[(4-NITRO-1H-PYRAZOL-1-YL)METHYL]ISOXAZOLE-3-CARBOXYLIC ACID
Formula
C9 H8 N4 O5
MolWeight
252.185
1Identification
【Name】
5-METHYL-4-[(4-NITRO-1H-PYRAZOL-1-YL)METHYL]ISOXAZOLE-3-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD06653271
【English Synonyms】
【Formula】
C9 H8 N4 O5
【MolWeight】
252.185
【Inchi】
InChI=1S/C9H8N4O5/c1-5-7(8(9(14)15)11-18-5)4-12-3-6(2-10-12)13(16)17/h2-3H,4H2,1H3,(H,14,15)
【InChIKey】
InChIKey=ISCOXEHSPHPMGP-UHFFFAOYSA-N
【SMILES】
Cc1c(c(no1)C(=O)O)Cn2cc(cn2)[N+](=O)[O-]
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:9
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-METHYL-4-[(4-NITRO-1H-PYRAZOL-1-YL)METHYL]ISOXAZOLE-3-CARBOXYLIC ACID.cml
Quick Release
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