Home Boronic Acids 1000068-25-6
1000068-25-6,MFCD11109421
Catalog No.:AA00006O
1H-Indole-1-carboxylic acid, 2-borono-4-fluoro-, 1-(1,1-dimethylethyl) ester | 1000068-25-6
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100mg
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250mg
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1g
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Technical Information
Catalog Number:
AA00006O
Chemical Name:
1H-Indole-1-carboxylic acid, 2-borono-4-fluoro-, 1-(1,1-dimethylethyl) ester
CAS Number:
1000068-25-6
Molecular Formula:
C13H15BFNO4
Molecular Weight:
279.0719
MDL Number:
MFCD11109421
IUPAC Name:
[4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
InChI:
InChI=1S/C13H15BFNO4/c1-13(2,3)20-12(17)16-10-6-4-5-9(15)8(10)7-11(16)14(18)19/h4-7,18-19H,1-3H3
InChI Key:
GIHZCAVQMVZATP-UHFFFAOYSA-N
SMILES:
OB(c1cc2c(n1C(=O)OC(C)(C)C)cccc2F)O
Properties
Computed 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

Synonyms
 
1000068-25-6 
(1-(tert-Butoxycarbonyl)-4-fluoro-1H-indol-2-yl)boronic acid 
MFCD11109421 
AKOS015836467 
ZINC169905149 
DS-4365 
SB18071 
1H-Indole-1-carboxylic acid, 2-borono-4-fluoro-, 1-(1,1-dimethylethyl) ester 
AK109531 
TR-039200 
ST24033493 
1-(tert-butoxycarbonyl)-4-fluoro-1H-indol-2-ylboronic acid 
N-(BOC)-4-fluoroindole-2-boronic acid 
(1-(tert-butoxycarbonyl)-4-fluoro-1H-indol-2-yl) boronic acid 
{1-[(tert-butoxy)carbonyl]-4-fluoro-1H-indol-2-yl}boronic acid 
1H-Indole-1-carboxylic acid,2-borono-4-fluoro-,1-(1,1-dimethylethyl)ester 
C13H15BFNO4 
(1-(tert-Butoxycarbonyl)-4-fluoro-1H-indol-2-yl)boronicacid 
1-(tert-butoxycarbonyl)-4-fluoro-1H-indol-2-yl-2-boronic acid 
[1-(tert-butoxycarbonyl)-4-fluoro-1h-indol-2-yl]boronic acid 
SCHEMBL2873485 
CTK7I2589 
KS-00000PSQ 
DTXSID90656792 
GIHZCAVQMVZATP-UHFFFAOYSA-N 
0013AA 
Literature
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