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Home > Boronic Acids > 1198096-23-9
1198096-23-9 | 1H-Pyrrolo[2,3-b]pyridine, 5-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 1198096-23-9 Catalog No: AG000PO6 MDL No:MFCD13563091
Product Description
Catalog Number:
AG000PO6
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine, 5-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1198096-23-9
Molecular Formula:
C14H19BN2O2
Molecular Weight:
258.1239
MDL Number:
MFCD13563091
IUPAC Name:
5-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C14H19BN2O2/c1-9-6-10-11(8-17-12(10)16-7-9)15-18-13(2,3)14(4,5)19-15/h6-8H,1-5H3,(H,16,17)
InChI Key:
VVQUQQDNKMKSCI-UHFFFAOYSA-N
SMILES:
Cc1cnc2c(c1)c(c[nH]2)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.154g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.128g/mol
Monoisotopic Mass:
258.154g/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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