Home Boronic Acids 1000068-65-4
1000068-65-4,MFCD11109422
Catalog No.:AA00006N
1000068-65-4 | 1H-Indole-1-carboxylic acid, 2-borono-7-fluoro-, 1-(1,1-dimethylethyl) ester
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250mg
95%
1 week  
$457.00
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Technical Information
Catalog Number:
AA00006N
Chemical Name:
1H-Indole-1-carboxylic acid, 2-borono-7-fluoro-, 1-(1,1-dimethylethyl) ester
CAS Number:
1000068-65-4
Molecular Formula:
C13H15BFNO4
Molecular Weight:
279.0719
MDL Number:
MFCD11109422
IUPAC Name:
[7-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(14(18)19)7-8-5-4-6-9(15)11(8)16/h4-7,18-19H,1-3H3
InChI Key:
AHFAZIPJGLAFSE-UHFFFAOYSA-N
SMILES:
OB(c1cc2c(n1C(=O)OC(C)(C)C)c(F)ccc2)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
 
1000068-65-4 
1-(tert-Butoxycarbonyl)-7-fluoro-1H-indol-2-yl-2-boronic acid 
AHFAZIPJGLAFSE-UHFFFAOYSA-N 
MFCD11109422 
AKOS015836508 
ZINC169810362 
RP06606 
RTR-039201 
AS-40855 
TR-039201 
FT-0685535 
Y6746 
(1-(tert-Butoxycarbonyl)-7-fluoro-1H-indol-2-yl)boronic acid 
A22774 
J-503655 
1-(tert-butoxycarbonyl)-7-fluoroindol-2-ylboronic acid 
1-(tert-butoxycarbonyl)-7-fluoro-1H-indol-2-ylboronic acid 
1H-Indole-1-carboxylic acid,2-borono-7-fluoro-,1-(1,1-dimethylethyl)ester 
C13H15BFNO4 
1-(tert-butoxycarbonyl)-7-fluoro-1H-indol-2-yl-2-boronic acid, 95% - 1G 1g 
N-(BOC)-7-fluoroindole-2-boronic acid 
1-(tert-Butoxycarbonyl)-7-fluoro-1H-indole-2-boronic acid 
[1-(tert-butoxycarbonyl)-7-fluoro-1h-indol-2-yl]boronic acid 
1H-Indole-1-carboxylic acid, 2-borono-7-fluoro-, 1-(1,1-dimethylethyl) ester 
SCHEMBL4242068 
CTK7I2588 
DTXSID50656793 
Literature
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