1072945-99-3
4-(METHYLTHIO)-2-(TRIFLUOROMETHYL)PHENYLBORONIC ACID
Name
4-(METHYLTHIO)-2-(TRIFLUOROMETHYL)PHENYLBORONIC ACID
Formula
C8 H8 B F3 O2 S
MolWeight
236.02
1Identification
【Name】
4-(METHYLTHIO)-2-(TRIFLUOROMETHYL)PHENYLBORONIC ACID
【CAS】
【MDL】
MFCD09972107
【English Synonyms】
【Formula】
C8 H8 B F3 O2 S
【MolWeight】
236.02
【Inchi】
InChI=1S/C8H8BF3O2S/c1-15-5-2-3-7(9(13)14)6(4-5)8(10,11)12/h2-4,13-14H,1H3
【InChIKey】
InChIKey=CIDYXSCTMDUKPX-UHFFFAOYSA-N
【SMILES】
B(c1ccc(cc1C(F)(F)F)SC)(O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:2
XLogP3:3.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
Combi-Blocks Inc. :4-(METHYLTHIO)-2-(TRIFLUOROMETHYL)PHENYLBORONIC ACID
4CML File
4-(METHYLTHIO)-2-(TRIFLUOROMETHYL)PHENYLBORONIC ACID.cml
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Aurum Pharmatech LLC
Catalog No:A-4535 100G
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