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Home > Boronic Acids > 1198094-97-1
1198094-97-1 | 1H-Pyrrolo[2,3-b]pyridine, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)-
CAS No: 1198094-97-1 Catalog No: AG000PO8 MDL No:MFCD12922777
Product Description
Catalog Number:
AG000PO8
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)-
CAS Number:
1198094-97-1
Molecular Formula:
C14H16BF3N2O2
Molecular Weight:
312.0952
MDL Number:
MFCD12922777
IUPAC Name:
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C14H16BF3N2O2/c1-12(2)13(3,4)22-15(21-12)10-7-20-11-9(10)5-8(6-19-11)14(16,17)18/h5-7H,1-4H3,(H,19,20)
InChI Key:
ZHMRWVDGJNATPM-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1c[nH]c2c1cc(cn2)C(F)(F)F
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.126g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
312.099g/mol
Monoisotopic Mass:
312.126g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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