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278803-50-2,MFCD00141667
Catalog No.:AA00IWB0
278803-50-2 | 1-[(4-chlorophenyl)methyl]-5-nitro-2,3-dihydro-1H-indole-2,3-dione
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1mg
>90%
3 weeks  
$150.00
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5mg
>90%
3 weeks  
$162.00
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10mg
>90%
3 weeks  
$185.00
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500mg
>90%
3 weeks  
$610.00
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1g
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3 weeks  
$1,120.00
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Technical Information
Catalog Number:
AA00IWB0
Chemical Name:
1-[(4-chlorophenyl)methyl]-5-nitro-2,3-dihydro-1H-indole-2,3-dione
CAS Number:
278803-50-2
Molecular Formula:
C15H9ClN2O4
Molecular Weight:
316.6960
MDL Number:
MFCD00141667
IUPAC Name:
1-[(4-chlorophenyl)methyl]-5-nitroindole-2,3-dione
InChI:
InChI=1S/C15H9ClN2O4/c16-10-3-1-9(2-4-10)8-17-13-6-5-11(18(21)22)7-12(13)14(19)15(17)20/h1-7H,8H2
InChI Key:
AOEXQPICQWPNHX-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)CN1c2ccc(cc2C(=O)C1=O)[N+](=O)[O-]
Properties
Computed Properties
 
Complexity:
484  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.025g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.697g/mol
Monoisotopic Mass:
316.025g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
83.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  

Synonyms
 
278803-50-2 
1-(4-chlorobenzyl)-5-nitro-1H-indole-2,3-dione 
1-[(4-chlorophenyl)methyl]-5-nitroindole-2,3-dione 
ZINC04051695 
CID2768677 
1-[(4-chlorophenyl)methyl]-5-nitro-2,3-dihydro-1H-indole-2,3-dione 
AC1MCFY2 
SCHEMBL8019897 
KS-00001SNN 
ZINC4051695 
AKOS005079911 
MCULE-4544646303 
12F-320S 
Literature
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