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Home > Boronic Acids > 1025719-17-8
1025719-17-8 | 1H-Pyrrolo[2,3-b]pyridine-1-carboxylic acid, 3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester
CAS No: 1025719-17-8 Catalog No: AG0007S9 MDL No:MFCD12923383
Product Description
Catalog Number:
AG0007S9
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-1-carboxylic acid, 3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester
CAS Number:
1025719-17-8
Molecular Formula:
C18H24BClN2O4
Molecular Weight:
378.6582
MDL Number:
MFCD12923383
IUPAC Name:
3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C13H16BClN2O2/c1-12(2)13(3,4)19-14(18-12)8-5-9-10(15)7-17-11(9)16-6-8/h5-7H,1-4H3,(H,16,17)
InChI Key:
BPAAWYLOFQTVPA-UHFFFAOYSA-N
SMILES:
Clc1cn(c2c1cc(cn2)B1OC(C(O1)(C)C)(C)C)C(=O)OC(C)(C)C
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.099g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.543g/mol
Monoisotopic Mass:
278.099g/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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