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Home > Boronic Acids > 1256360-42-5

1256360-42-5

1256360-42-5 | 4-Chloro-1-methylindole-2-boronic acid, pinacol ester

CAS No: 1256360-42-5 Catalog No: AG009WU0 MDL No:MFCD16995790

Product Description

Catalog Number:
AG009WU0
Chemical Name:
4-Chloro-1-methylindole-2-boronic acid, pinacol ester
CAS Number:
1256360-42-5
Molecular Formula:
C15H19BClNO2
Molecular Weight:
291.5809
MDL Number:
MFCD16995790
IUPAC Name:
4-chloro-1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole
InChI:
InChI=1S/C15H19BClNO2/c1-14(2)15(3,4)20-16(19-14)13-9-10-11(17)7-6-8-12(10)18(13)5/h6-9H,1-5H3
InChI Key:
VUBGUQRJVLABQU-UHFFFAOYSA-N
SMILES:
Clc1cccc2c1cc(n2C)B1OC(C(O1)(C)C)(C)C

Properties

Complexity:
374  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.12g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.582g/mol
Monoisotopic Mass:
291.12g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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