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1020997-14-1 | 5-Isoxazolamine, 3-(3,5-dichlorophenyl)-
CAS No: 1020997-14-1 Catalog No: AG0006M2 MDL No:MFCD11156303
Product Description
Catalog Number:
AG0006M2
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
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
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