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Home > Boronic Acids > 1000068-26-7
1000068-26-7 | 1H-Indole-1-carboxylic acid, 2-borono-6-fluoro-, 1-(1,1-dimethylethyl) ester
CAS No: 1000068-26-7 Catalog No: AG008TB2 MDL No:MFCD09953519
Product Description
Catalog Number:
AG008TB2
Chemical Name:
1H-Indole-1-carboxylic acid, 2-borono-6-fluoro-, 1-(1,1-dimethylethyl) ester
CAS Number:
1000068-26-7
Molecular Formula:
C13H15BFNO4
Molecular Weight:
279.0719
MDL Number:
MFCD09953519
IUPAC Name:
[6-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
InChI:
InChI=1S/C13H15BFNO4/c1-13(2,3)20-12(17)16-10-7-9(15)5-4-8(10)6-11(16)14(18)19/h4-7,18-19H,1-3H3
InChI Key:
GARRUKBUEWVRCV-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)n(C(=O)OC(C)(C)C)c(c2)B(O)O
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.108g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
279.074g/mol
Monoisotopic Mass:
279.108g/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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