2274-89-7
5-CHLORO-4-NITRO-2,1,3-BENZOTHIADIAZOLE
Name
5-CHLORO-4-NITRO-2,1,3-BENZOTHIADIAZOLE
Formula
C6 H2 Cl N3 O2 S
MolWeight
215.62
1Identification
【Name】
5-CHLORO-4-NITRO-2,1,3-BENZOTHIADIAZOLE
【CAS】
【MDL】
MFCD00084970
【English Synonyms】
【Formula】
C6 H2 Cl N3 O2 S
【MolWeight】
215.62
【Inchi】
InChI=1S/C6H2ClN3O2S/c7-3-1-2-4-5(9-13-8-4)6(3)10(11)12/h1-2H
【InChIKey】
InChIKey=MSDMEVQEACHYNS-UHFFFAOYSA-N
【SMILES】
c1cc(c(c2c1nsn2)[N+](=O)[O-])Cl
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-CHLORO-4-NITRO-2,1,3-BENZOTHIADIAZOLE.cml
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