799256-28-3
2-[(4-NITRO-2,1,3-BENZOXADIAZOL-5-YL)SULFANYL]ACETIC ACID
Name
2-[(4-NITRO-2,1,3-BENZOXADIAZOL-5-YL)SULFANYL]ACETIC ACID
Formula
C8 H5 N3 O5 S
MolWeight
255.21
1Identification
【Name】
2-[(4-NITRO-2,1,3-BENZOXADIAZOL-5-YL)SULFANYL]ACETIC ACID
【CAS】
【MDL】
MFCD03636911
【English Synonyms】
【Formula】
C8 H5 N3 O5 S
【MolWeight】
255.21
【Inchi】
InChI=1S/C8H5N3O5S/c12-6(13)3-17-5-2-1-4-7(10-16-9-4)8(5)11(14)15/h1-2H,3H2,(H,12,13)
【InChIKey】
InChIKey=NTCLGEKUBRYEQZ-UHFFFAOYSA-N
【SMILES】
c1cc(c(c2c1non2)[N+](=O)[O-])SCC(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:8
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-[(4-NITRO-2,1,3-BENZOXADIAZOL-5-YL)SULFANYL]ACETIC ACID.cml
Quick Release
4-(N,N-DIMETHYLAMINOSULFONYL)-7-FLUORO-2,1,3-BENZOXADIAZOLE
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4-(N,N-DIMETHYLAMINOSULFONYL)-7-AMINO-2,1,3-BENZOXADIAZOLE
147611-83-4
5-BROMO-4,5,6,7-TETRAHYDRO-2,1,3-BENZOXADIAZOL-4-ONE
300574-36-1
4-(N,N-DIMETHYLAMINOSULFONYL)-7-ISOTHIOCYANATO-2,1,3-BENZOXADIAZOLE
147611-81-2
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