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Home > Boronic Acids > 1150561-61-7
1150561-61-7 | Pyridine, 2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-
CAS No: 1150561-61-7 Catalog No: AG000FRR MDL No:MFCD12026094
Product Description
Catalog Number:
AG000FRR
Chemical Name:
Pyridine, 2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-
CAS Number:
1150561-61-7
Molecular Formula:
C13H17BF3NO3
Molecular Weight:
303.0852
MDL Number:
MFCD12026094
IUPAC Name:
2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridine
InChI:
InChI=1S/C13H17BF3NO3/c1-11(2)12(3,4)21-14(20-11)8-6-9(13(15,16)17)10(19-5)18-7-8/h6-7H,1-5H3
InChI Key:
GNJXUHQYHOJYMP-UHFFFAOYSA-N
SMILES:
COc1ncc(cc1C(F)(F)F)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.125g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.088g/mol
Monoisotopic Mass:
303.125g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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