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1369017-00-4 | 1,2,4-Oxadiazole-5-methanamine, 3-(4-chloro-2-methylphenyl)-
CAS No: 1369017-00-4 Catalog No: AG0012JD MDL No:
Product Description
Catalog Number:
AG0012JD
Chemical Name:
1,2,4-Oxadiazole-5-methanamine, 3-(4-chloro-2-methylphenyl)-
CAS Number:
1369017-00-4
Molecular Formula:
C10H10ClN3O
Molecular Weight:
223.6589
IUPAC Name:
[3-(4-chloro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
InChI:
InChI=1S/C10H10ClN3O/c1-6-4-7(11)2-3-8(6)10-13-9(5-12)15-14-10/h2-4H,5,12H2,1H3
InChI Key:
FCDAWFKETYRRPU-UHFFFAOYSA-N
SMILES:
NCc1onc(n1)c1ccc(cc1C)Cl
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.051g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.66g/mol
Monoisotopic Mass:
223.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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