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Home > Boronic Acids > 863579-14-0
863579-14-0 | methyl 3-cyclohexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate
CAS No: 863579-14-0 Catalog No: AG01DG1H MDL No:MFCD20526563
Product Description
Catalog Number:
AG01DG1H
Chemical Name:
methyl 3-cyclohexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate
CAS Number:
863579-14-0
Molecular Formula:
C22H30BNO4
Molecular Weight:
383.2889
MDL Number:
MFCD20526563
IUPAC Name:
methyl 3-cyclohexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate
InChI:
InChI=1S/C22H30BNO4/c1-21(2)22(3,4)28-23(27-21)19-18(14-9-7-6-8-10-14)16-12-11-15(20(25)26-5)13-17(16)24-19/h11-14,24H,6-10H2,1-5H3
InChI Key:
JMQNBDPDMRVMRP-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2c(c1)[nH]c(c2C1CCCCC1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
573
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
383.227g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
383.295g/mol
Monoisotopic Mass:
383.227g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
60.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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