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Home > Boronic Acids > 1045855-91-1
1045855-91-1 | 6-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRROLO[3,2-B]PYRIDINE
CAS No: 1045855-91-1 Catalog No: AG008SCZ MDL No:MFCD09859120
Product Description
Catalog Number:
AG008SCZ
Chemical Name:
6-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRROLO[3,2-B]PYRIDINE
CAS Number:
1045855-91-1
Molecular Formula:
C13H17BN2O2
Molecular Weight:
244.0973
MDL Number:
MFCD09859120
IUPAC Name:
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[3,2-b]pyridine
InChI:
InChI=1S/C13H17BN2O2/c1-12(2)13(3,4)18-14(17-12)9-7-11-10(16-8-9)5-6-15-11/h5-8,15H,1-4H3
InChI Key:
LVVACKKTPDWXJM-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1cnc2c(c1)[nH]cc2
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.138g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.101g/mol
Monoisotopic Mass:
244.138g/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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