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Home > Boronic Acids > 690631-96-0
690631-96-0 | 4-METHYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-2-[4-(TRIFLUOROMETHYL)PHENYL]-1,3-THIAZOLE
CAS No: 690631-96-0 Catalog No: AG005LS0 MDL No:MFCD05664416
Product Description
Catalog Number:
AG005LS0
Chemical Name:
4-METHYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-2-[4-(TRIFLUOROMETHYL)PHENYL]-1,3-THIAZOLE
CAS Number:
690631-96-0
Molecular Formula:
C17H19BF3NO2S
Molecular Weight:
369.2095
MDL Number:
MFCD05664416
IUPAC Name:
4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
InChI:
InChI=1S/C17H19BF3NO2S/c1-10-13(18-23-15(2,3)16(4,5)24-18)25-14(22-10)11-6-8-12(9-7-11)17(19,20)21/h6-9H,1-5H3
InChI Key:
ZUROXICAUJQTIB-UHFFFAOYSA-N
SMILES:
Cc1nc(sc1B1OC(C(O1)(C)C)(C)C)c1ccc(cc1)C(F)(F)F
Properties
Complexity:
479
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.118g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
369.209g/mol
Monoisotopic Mass:
369.118g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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