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Home > Boronic Acids > 1417422-00-4
1417422-00-4 | Boronic acid, B-[5-chloro-1-[(4-methylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-
CAS No: 1417422-00-4 Catalog No: AG001GYW MDL No:
Product Description
Catalog Number:
AG001GYW
Chemical Name:
Boronic acid, B-[5-chloro-1-[(4-methylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-
CAS Number:
1417422-00-4
Molecular Formula:
C14H12BClN2O4S
Molecular Weight:
350.5851
IUPAC Name:
[5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]boronic acid
InChI:
InChI=1S/C14H12BClN2O4S/c1-9-2-4-11(5-3-9)23(21,22)18-8-13(15(19)20)12-6-10(16)7-17-14(12)18/h2-8,19-20H,1H3
InChI Key:
RBKQSKSGWGOASE-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)n1cc(c2c1ncc(c2)Cl)B(O)O
Properties
Complexity:
521
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.03g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
350.58g/mol
Monoisotopic Mass:
350.03g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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