864759-67-1
3-METHYL-4-TRIFLUOROMETHYL-PHENYLBORONIC ACID
Name3-METHYL-4-TRIFLUOROMETHYL-PHENYLBORONIC ACID
1Identification
【Name】
3-METHYL-4-TRIFLUOROMETHYL-PHENYLBORONIC ACID
【CAS】
【MDL】
MFCD08706260
【English Synonyms】
【Formula】
C8 H8 B F3 O2
【MolWeight】
203.954
【Inchi】
InChI=1S/C8H8BF3O2/c1-5-4-6(9(13)14)2-3-7(5)8(10,11)12/h2-4,13-14H,1H3
【InChIKey】
InChIKey=WYIPXMTWQBAPEE-UHFFFAOYSA-N
【SMILES】
B(c1ccc(c(c1)C)C(F)(F)F)(O)O
【MOL File】
3-METHYL-4-TRIFLUORO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:2
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-METHYL-4-TRIFLUOROMETHYL-PHENYLBORONIC ACID.cml