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1632996-84-9 | Tert-Butyl 5-Bromo-3-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-1H-Pyrrolo[2,3-C]Pyridine-1-Carboxylate
CAS No: 1632996-84-9 Catalog No: AG00HYVF MDL No:MFCD28992172
Product Description
Catalog Number:
AG00HYVF
Chemical Name:
Tert-Butyl 5-Bromo-3-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-1H-Pyrrolo[2,3-C]Pyridine-1-Carboxylate
CAS Number:
1632996-84-9
Molecular Formula:
C18H24BBrN2O4
Molecular Weight:
423.1092
MDL Number:
MFCD28992172
IUPAC Name:
tert-butyl 5-bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridine-1-carboxylate
InChI:
InChI=1S/C18H24BBrN2O4/c1-16(2,3)24-15(23)22-10-12(11-8-14(20)21-9-13(11)22)19-25-17(4,5)18(6,7)26-19/h8-10H,1-7H3
InChI Key:
CMRCYVIXCKDWHF-UHFFFAOYSA-N
SMILES:
Brc1ncc2c(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:
422.101g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
423.114g/mol
Monoisotopic Mass:
422.101g/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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