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Home > Boronic Acids > 848357-46-0
848357-46-0 | (1-(tert-Butoxycarbonyl);-6-(methoxycarbonyl);-1H-indol-2-yl);boronic acid
CAS No: 848357-46-0 Catalog No: AG003BEG MDL No:MFCD11616319
Product Description
Catalog Number:
AG003BEG
Chemical Name:
(1-(tert-Butoxycarbonyl);-6-(methoxycarbonyl);-1H-indol-2-yl);boronic acid
CAS Number:
848357-46-0
Molecular Formula:
C15H18BNO6
Molecular Weight:
319.1175
MDL Number:
MFCD11616319
IUPAC Name:
[6-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
InChI:
InChI=1S/C15H18BNO6/c1-15(2,3)23-14(19)17-11-7-10(13(18)22-4)6-5-9(11)8-12(17)16(20)21/h5-8,20-21H,1-4H3
InChI Key:
KQMBSTUEOCJFKS-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2c(c1)n(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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