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1004558-41-1,MFCD13183456
Catalog No.:AA0001YK
1004558-41-1 | 1-BOC 7-Chloroindole
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Price(USD)
Quantity
  
1g
98%
in stock  
$172.00   $120.00
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5g
98%
in stock  
$730.00   $511.00
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Technical Information
Catalog Number:
AA0001YK
Chemical Name:
1-BOC 7-Chloroindole
CAS Number:
1004558-41-1
Molecular Formula:
C13H14ClNO2
Molecular Weight:
251.7088
MDL Number:
MFCD13183456
IUPAC Name:
tert-butyl 7-chloroindole-1-carboxylate
InChI:
InChI=1S/C13H14ClNO2/c1-13(2,3)17-12(16)15-8-7-9-5-4-6-10(14)11(9)15/h4-8H,1-3H3
InChI Key:
DKEVEWZLEMGFNK-UHFFFAOYSA-N
SMILES:
Clc1cccc2c1n(cc2)C(=O)OC(C)(C)C
Properties
Computed Properties
 
Complexity:
300  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.071g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.71g/mol
Monoisotopic Mass:
251.071g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  

Synonyms
 
1004558-41-1 
1-BOC 7-Chloroindole 
ZINC65337245 
AKOS015837037 
FCH1624726 
tert-butyl 7-chloroindole-1-carboxylate 
DA-48429 
AJ-115055 
AX8237543 
TR-033769 
1-(tert-Butoxycarbonyl)-7-chloro-1H-indole 
FT-0706817 
tert-Butyl 7-chloro-1H-indole-1-carboxylate 
Z6278 
A-4066 
I10-886 
7-chloro-indole-1-carboxylic acid tert-butyl ester 
1H-Indole-1-carboxylic acid, 7-chloro-, 1,1-dimethylethyl ester 
C13H14ClNO2 
ACMC-2097qa 
SCHEMBL2877952 
CTK3J8956 
DTXSID30682075 
DKEVEWZLEMGFNK-UHFFFAOYSA-N 
ANW-14288 
MFCD13183456 
Literature
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