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Home > Boronic Acids > 953411-05-7
953411-05-7 | (1-(tert-Butoxycarbonyl);-7-(methoxycarbonyl);-1H-indol-2-yl);boronic acid
CAS No: 953411-05-7 Catalog No: AG003BEH MDL No:MFCD11504860
Product Description
Catalog Number:
AG003BEH
Chemical Name:
(1-(tert-Butoxycarbonyl);-7-(methoxycarbonyl);-1H-indol-2-yl);boronic acid
CAS Number:
953411-05-7
Molecular Formula:
C15H18BNO6
Molecular Weight:
319.1175
MDL Number:
MFCD11504860
IUPAC Name:
[7-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
InChI:
InChI=1S/C15H18BNO6/c1-15(2,3)23-14(19)17-11(16(20)21)8-9-6-5-7-10(12(9)17)13(18)22-4/h5-8,20-21H,1-4H3
InChI Key:
DUYWVUSQQWEWAZ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc2c1n(C(=O)OC(C)(C)C)c(c2)B(O)O
Properties
Complexity:
463
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.123g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
319.12g/mol
Monoisotopic Mass:
319.123g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
98A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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