200,000+ products from a single source!
sales@angenechem.com
1005553-66-1 | 5-(1,3-DIMETHYL-1H-PYRAZOL-4-YL)ISOXAZOLE
CAS No: 1005553-66-1 Catalog No: AG01DUWF MDL No:MFCD04059146
Product Description
Catalog Number:
AG01DUWF
Chemical Name:
5-(1,3-DIMETHYL-1H-PYRAZOL-4-YL)ISOXAZOLE
CAS Number:
1005553-66-1
Molecular Formula:
C8H9N3O
Molecular Weight:
163.1766
MDL Number:
MFCD04059146
IUPAC Name:
5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole
InChI:
InChI=1S/C8H9N3O/c1-6-7(5-11(2)10-6)8-3-4-9-12-8/h3-5H,1-2H3
InChI Key:
DKAUEBPKFGYXAT-UHFFFAOYSA-N
SMILES:
Cn1nc(c(c1)c1ccno1)C
Properties
Complexity:
164
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:
1
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.