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Home > Boronic Acids > 479411-93-3
479411-93-3 | 2-(3-Methoxy-5-trifluoromethyl-phenyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane
CAS No: 479411-93-3 Catalog No: AG00DKK5 MDL No:MFCD11846463
Product Description
Catalog Number:
AG00DKK5
Chemical Name:
2-(3-Methoxy-5-trifluoromethyl-phenyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane
CAS Number:
479411-93-3
Molecular Formula:
C14H18BF3O3
Molecular Weight:
302.0971
MDL Number:
MFCD11846463
IUPAC Name:
2-[3-methoxy-5-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI:
InChI=1S/C14H18BF3O3/c1-12(2)13(3,4)21-15(20-12)10-6-9(14(16,17)18)7-11(8-10)19-5/h6-8H,1-5H3
InChI Key:
YLEULUGDUPXKBN-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1)C(F)(F)F)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.13g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.1g/mol
Monoisotopic Mass:
302.13g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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