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Home > Boronic Acids > 850568-65-9
850568-65-9 | (1-(tert-Butoxycarbonyl)-6-methoxy-1H-indol-2-yl)boronic acid
CAS No: 850568-65-9 Catalog No: AG008GT9 MDL No:MFCD06659830
Product Description
Catalog Number:
AG008GT9
Chemical Name:
(1-(tert-Butoxycarbonyl)-6-methoxy-1H-indol-2-yl)boronic acid
CAS Number:
850568-65-9
Molecular Formula:
C14H18BNO5
Molecular Weight:
291.1074
MDL Number:
MFCD06659830
IUPAC Name:
[6-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
InChI:
InChI=1S/C14H18BNO5/c1-14(2,3)21-13(17)16-11-8-10(20-4)6-5-9(11)7-12(16)15(18)19/h5-8,18-19H,1-4H3
InChI Key:
ATIJYIUOXDCYTN-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)n(C(=O)OC(C)(C)C)c(c2)B(O)O
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.128g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
291.11g/mol
Monoisotopic Mass:
291.128g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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