Home Amines 1020997-14-1
1020997-14-1,MFCD11156303
Catalog No.:AA0006JA
1020997-14-1 | 5-Isoxazolamine, 3-(3,5-dichlorophenyl)-
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Price(USD)
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250mg
95.0%
3 weeks  
$366.00   $257.00
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Technical Information
Catalog Number:
AA0006JA
Chemical Name:
5-Isoxazolamine, 3-(3,5-dichlorophenyl)-
CAS Number:
1020997-14-1
Molecular Formula:
C9H6Cl2N2O
Molecular Weight:
229.0627
MDL Number:
MFCD11156303
IUPAC Name:
3-(3,5-dichlorophenyl)-1,2-oxazol-5-amine
InChI:
InChI=1S/C9H6Cl2N2O/c10-6-1-5(2-7(11)3-6)8-4-9(12)14-13-8/h1-4H,12H2
InChI Key:
JCTZJUPAALEVOL-UHFFFAOYSA-N
SMILES:
Nc1onc(c1)c1cc(Cl)cc(c1)Cl
Properties
Computed Properties
 
Complexity:
195  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.986g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
229.06g/mol
Monoisotopic Mass:
227.986g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  

Synonyms
 
1020997-14-1 
3-(3,5-Dichlorophenyl)isoxazol-5-amine 
MCULE-6063395828 
NE54833 
AJ-76015 
SY012489 
5-Isoxazolamine, 3-(3,5-dichlorophenyl)- 
DB-057879 
TC-307858 
FT-0762933 
EN300-60958 
MFCD11156303 (95%) 
3-(3,5-dichlorophenyl)-1,2-oxazol-5-amine 
Z1262250804 
C9H6Cl2N2O 
3453-33-6 
5-Amino-3-(3,5-dichlorophenyl)isoxazole 
3-(3,5-dichlorophenyl)-5-Isoxazolamine 
AC1Q51JQ 
CTK7E1603 
5630AJ 
ZINC20078681 
AKOS000261594 
Literature
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