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Home > Boronic Acids > 1073338-93-8
1073338-93-8 | TERT-BUTYL 5-FLUORO-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRROLO[2,3-B]PYRIDINE-1-CARBOXYLATE
CAS No: 1073338-93-8 Catalog No: AG0095FY MDL No:MFCD12407271
Product Description
Catalog Number:
AG0095FY
Chemical Name:
TERT-BUTYL 5-FLUORO-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRROLO[2,3-B]PYRIDINE-1-CARBOXYLATE
CAS Number:
1073338-93-8
Molecular Formula:
C18H24BFN2O4
Molecular Weight:
362.2036
MDL Number:
MFCD12407271
IUPAC Name:
tert-butyl 5-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate
InChI:
InChI=1S/C18H24BFN2O4/c1-16(2,3)24-15(23)22-10-13(12-8-11(20)9-21-14(12)22)19-25-17(4,5)18(6,7)26-19/h8-10H,1-7H3
InChI Key:
APWKMCGPZCOCEQ-UHFFFAOYSA-N
SMILES:
Fc1cnc2c(c1)c(cn2C(=O)OC(C)(C)C)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
550
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.181g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
362.208g/mol
Monoisotopic Mass:
362.181g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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