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Home > Boronic Acids > 1185427-08-0
1185427-08-0 | 5-Methoxy-1-tosyl-1H-indole-3-boronic acid pinacol ester
CAS No: 1185427-08-0 Catalog No: AG00HEM3 MDL No:MFCD15143423
Product Description
Catalog Number:
AG00HEM3
Chemical Name:
5-Methoxy-1-tosyl-1H-indole-3-boronic acid pinacol ester
CAS Number:
1185427-08-0
Molecular Formula:
C22H26BNO5S
Molecular Weight:
427.3215
MDL Number:
MFCD15143423
IUPAC Name:
5-methoxy-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole
InChI:
InChI=1S/C22H26BNO5S/c1-15-7-10-17(11-8-15)30(25,26)24-14-19(18-13-16(27-6)9-12-20(18)24)23-28-21(2,3)22(4,5)29-23/h7-14H,1-6H3
InChI Key:
ACPVPMXEIBPNRD-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(cn2S(=O)(=O)c1ccc(cc1)C)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
712
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
427.162g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
427.322g/mol
Monoisotopic Mass:
427.162g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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