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339023-37-9,MFCD00139384
Catalog No.:AA00IYSX
339023-37-9 | 4-({[(2,4-dichlorophenyl)methoxy]amino}methyl)-1,2-dihydrophthalazin-1-one
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1mg
3 weeks  
$214.00   $150.00
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5mg
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$231.00   $162.00
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10mg
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$264.00   $185.00
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500mg
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1g
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Technical Information
Catalog Number:
AA00IYSX
Chemical Name:
4-({[(2,4-dichlorophenyl)methoxy]amino}methyl)-1,2-dihydrophthalazin-1-one
CAS Number:
339023-37-9
Molecular Formula:
C16H13Cl2N3O2
Molecular Weight:
350.1993
MDL Number:
MFCD00139384
IUPAC Name:
4-[[(2,4-dichlorophenyl)methoxyamino]methyl]-2H-phthalazin-1-one
InChI:
InChI=1S/C16H13Cl2N3O2/c17-11-6-5-10(14(18)7-11)9-23-19-8-15-12-3-1-2-4-13(12)16(22)21-20-15/h1-7,19H,8-9H2,(H,21,22)
InChI Key:
JTIFGMDNMJUQKN-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)Cl)CONCc1n[nH]c(=O)c2c1cccc2
Properties
Computed Properties
 
Complexity:
461  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.038g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
350.199g/mol
Monoisotopic Mass:
349.038g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  

Synonyms
 
339023-37-9 
4-({[(2,4-dichlorobenzyl)oxy]amino}methyl)-1(2H)-phthalazinone 
AKOS005100216 
MCULE-7747412190 
KS-0000207Y 
8D-128 
4-((2,4-dichlorobenzyloxyamino)methyl)phthalazin-1(2H)-one 
4-[[(2,4-dichlorophenyl)methoxyamino]methyl]-2H-phthalazin-1-one 
CID3765657 
4-((((2,4-Dichlorobenzyl)oxy)amino)methyl)-1(2H)-phthalazinone 
4-({[(2,4-dichlorophenyl)methoxy]amino}methyl)-1,2-dihydrophthalazin-1-one 
CDS1_001316 
AC1MXHDW 
Bionet1_000340 
DivK1c_002356 
HMS568M22 
ZINC3028846 
Literature
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