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1174879-25-4 | 5-(1-ETHYL-1H-PYRAZOL-4-YL)ISOXAZOLE
CAS No: 1174879-25-4 Catalog No: AG01AOGU MDL No:MFCD10699073
Product Description
Catalog Number:
AG01AOGU
Chemical Name:
5-(1-ETHYL-1H-PYRAZOL-4-YL)ISOXAZOLE
CAS Number:
1174879-25-4
Molecular Formula:
C8H9N3O
Molecular Weight:
163.1766
MDL Number:
MFCD10699073
IUPAC Name:
5-(1-ethylpyrazol-4-yl)-1,2-oxazole
InChI:
InChI=1S/C8H9N3O/c1-2-11-6-7(5-9-11)8-3-4-10-12-8/h3-6H,2H2,1H3
InChI Key:
LDGKGBLZHYZYLD-UHFFFAOYSA-N
SMILES:
CCn1ncc(c1)c1ccno1
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.075g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.18g/mol
Monoisotopic Mass:
163.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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