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Home > Boronic Acids > 937366-54-6
937366-54-6 | PINACOL ESTER INDOLE-5-BORONIC ACID
CAS No: 937366-54-6 Catalog No: AG00GROJ MDL No:MFCD09879158
Product Description
Catalog Number:
AG00GROJ
Chemical Name:
PINACOL ESTER INDOLE-5-BORONIC ACID
CAS Number:
937366-54-6
Molecular Formula:
C14H18BNO2
Molecular Weight:
243.1092
MDL Number:
MFCD09879158
IUPAC Name:
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
InChI:
InChI=1S/C14H18BNO2/c1-13(2)14(3,4)18-15(17-13)11-9-16-12-8-6-5-7-10(11)12/h5-9,16H,1-4H3
InChI Key:
WQPRSRMWYVTUTE-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1c[nH]c2c1cccc2
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.143g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.113g/mol
Monoisotopic Mass:
243.143g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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