55439-75-3
2-(TRIFLUOROMETHYL)-1,3-BENZOTHIAZOLE-6-CARBOXYLIC ACID
Name
2-(TRIFLUOROMETHYL)-1,3-BENZOTHIAZOLE-6-CARBOXYLIC ACID
Formula
C9 H4 F3 N O2 S
MolWeight
247.196
1Identification
【Name】
2-(TRIFLUOROMETHYL)-1,3-BENZOTHIAZOLE-6-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD11108867
【English Synonyms】
【Formula】
C9 H4 F3 N O2 S
【MolWeight】
247.196
【Inchi】
InChI=1S/C9H4F3NO2S/c10-9(11,12)8-13-5-2-1-4(7(14)15)3-6(5)16-8/h1-3H,(H,14,15)
【InChIKey】
InChIKey=GSINBWGBXZPBCL-UHFFFAOYSA-N
【SMILES】
c1cc2c(cc1C(=O)O)sc(n2)C(F)(F)F
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(TRIFLUOROMETHYL)-1,3-BENZOTHIAZOLE-6-CARBOXYLIC ACID.cml
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