Home Boronic acids 1-Tosyl-1h-pyrrolo[2,3-b]pyridin-3-ylboronic acid

1-Tosyl-1h-pyrrolo[2,3-b]pyridin-3-ylboronic acid

CAS No.:
882562-39-2
Catalog Number:
AG008AWF
Molecular Formula:
C14H13BN2O4S
Molecular Weight:
316.1400
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Product Description
Catalog Number:
AG008AWF
Chemical Name:
1-Tosyl-1h-pyrrolo[2,3-b]pyridin-3-ylboronic acid
CAS Number:
882562-39-2
Molecular Formula:
C14H13BN2O4S
Molecular Weight:
316.1400
MDL Number:
MFCD10696634
IUPAC Name:
[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]boronic acid
InChI:
InChI=1S/C14H13BN2O4S/c1-10-4-6-11(7-5-10)22(20,21)17-9-13(15(18)19)12-3-2-8-16-14(12)17/h2-9,18-19H,1H3
InChI Key:
ZJMVMHYCONCGCX-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)n1cc(c2c1nccc2)B(O)O
Properties
Complexity:
488  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.069g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
316.138g/mol
Monoisotopic Mass:
316.069g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties