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Home > Boronic Acids > 913835-67-3
913835-67-3 | (1-(tert-Butoxycarbonyl);-6-cyano-1H-indol-2-yl);boronic acid
CAS No: 913835-67-3 Catalog No: AG006NKJ MDL No:MFCD08436056
Product Description
Catalog Number:
AG006NKJ
Chemical Name:
(1-(tert-Butoxycarbonyl);-6-cyano-1H-indol-2-yl);boronic acid
CAS Number:
913835-67-3
Molecular Formula:
C14H15BN2O4
Molecular Weight:
286.0909
MDL Number:
MFCD08436056
IUPAC Name:
[6-cyano-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
InChI:
InChI=1S/C14H15BN2O4/c1-14(2,3)21-13(18)17-11-6-9(8-16)4-5-10(11)7-12(17)15(19)20/h4-7,19-20H,1-3H3
InChI Key:
CZEBTZMIQZVUSE-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)n(C(=O)OC(C)(C)C)c(c2)B(O)O
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.112g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
286.094g/mol
Monoisotopic Mass:
286.112g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
95.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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