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Home > Boronic Acids > 1072811-23-4
1072811-23-4 | 4-METHYL-1H-INDOLE-2-BORONIC ACID PINACOL ESTER
CAS No: 1072811-23-4 Catalog No: AG0090FO MDL No:MFCD11858397
Product Description
Catalog Number:
AG0090FO
Chemical Name:
4-METHYL-1H-INDOLE-2-BORONIC ACID PINACOL ESTER
CAS Number:
1072811-23-4
Molecular Formula:
C15H20BNO2
Molecular Weight:
257.1358
MDL Number:
MFCD11858397
IUPAC Name:
4-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
InChI:
InChI=1S/C15H20BNO2/c1-10-7-6-8-12-11(10)9-13(17-12)16-18-14(2,3)15(4,5)19-16/h6-9,17H,1-5H3
InChI Key:
VELXJVTVYLHSHY-UHFFFAOYSA-N
SMILES:
Cc1cccc2c1cc([nH]2)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.159g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.14g/mol
Monoisotopic Mass:
257.159g/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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