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890324-74-0 | 1-[3-(4-METHYLPHENYL)-1,2,4-OXADIAZOL-5-YL]METHANAMINE
CAS No: 890324-74-0 Catalog No: AG0043YE MDL No:MFCD07087661
Product Description
Catalog Number:
AG0043YE
Chemical Name:
1-[3-(4-METHYLPHENYL)-1,2,4-OXADIAZOL-5-YL]METHANAMINE
CAS Number:
890324-74-0
Molecular Formula:
C10H11N3O
Molecular Weight:
189.2138
MDL Number:
MFCD07087661
IUPAC Name:
[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
InChI:
InChI=1S/C10H11N3O/c1-7-2-4-8(5-3-7)10-12-9(6-11)14-13-10/h2-5H,6,11H2,1H3
InChI Key:
XDCYNMWXLOAGSE-UHFFFAOYSA-N
SMILES:
NCc1onc(n1)c1ccc(cc1)C
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.09g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.218g/mol
Monoisotopic Mass:
189.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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