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Home > Boronic Acids > 850568-51-3
850568-51-3 | (1-(tert-Butoxycarbonyl)-6-methyl-1H-indol-2-yl)boronic acid
CAS No: 850568-51-3 Catalog No: AG008GTD MDL No:MFCD04973738
Product Description
Catalog Number:
AG008GTD
Chemical Name:
(1-(tert-Butoxycarbonyl)-6-methyl-1H-indol-2-yl)boronic acid
CAS Number:
850568-51-3
Molecular Formula:
C14H18BNO4
Molecular Weight:
275.1080
MDL Number:
MFCD04973738
IUPAC Name:
[6-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
InChI:
InChI=1S/C14H18BNO4/c1-9-5-6-10-8-12(15(18)19)16(11(10)7-9)13(17)20-14(2,3)4/h5-8,18-19H,1-4H3
InChI Key:
KLHBTAWDTXMJLT-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)n(C(=O)OC(C)(C)C)c(c2)B(O)O
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.133g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
275.111g/mol
Monoisotopic Mass:
275.133g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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