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Home > Boronic Acids > 1072145-24-4
1072145-24-4 | 4-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridin
CAS No: 1072145-24-4 Catalog No: AG008U6K MDL No:MFCD09965897
Product Description
Catalog Number:
AG008U6K
Chemical Name:
4-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridin
CAS Number:
1072145-24-4
Molecular Formula:
C13H16BClN2O2
Molecular Weight:
278.5423
MDL Number:
MFCD09965897
IUPAC Name:
4-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)9-7-17-11-8(10(9)15)5-6-16-11/h5-7H,1-4H3,(H,16,17)
InChI Key:
RCMMVCSRQVWSEX-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1cnc2c(c1Cl)cc[nH]2
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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