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Home > Boronic Acids > 1315354-68-7
1315354-68-7 | 6-Bromo-1-(toluene-4-sulfonyl)-1H-indole-3-boronic acid pinacol ester
CAS No: 1315354-68-7 Catalog No: AG00HSKF MDL No:MFCD08063122
Product Description
Catalog Number:
AG00HSKF
Chemical Name:
6-Bromo-1-(toluene-4-sulfonyl)-1H-indole-3-boronic acid pinacol ester
CAS Number:
1315354-68-7
Molecular Formula:
C21H23BBrNO4S
Molecular Weight:
476.1916
MDL Number:
MFCD08063122
IUPAC Name:
6-bromo-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole
InChI:
InChI=1S/C21H23BBrNO4S/c1-14-6-9-16(10-7-14)29(25,26)24-13-18(17-11-8-15(23)12-19(17)24)22-27-20(2,3)21(4,5)28-22/h6-13H,1-5H3
InChI Key:
OELIEDVZEZVNTL-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)n(cc2B1OC(C(O1)(C)C)(C)C)S(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
701
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
475.062g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
476.192g/mol
Monoisotopic Mass:
475.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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