200,000+ products from a single source!
sales@angenechem.com
78620-17-4 | 1,3,4-Oxadiazol-2(3H)-one, 5-(6-methyl-2-benzoxazolyl)-
CAS No: 78620-17-4 Catalog No: AG00527D MDL No:
Product Description
Catalog Number:
AG00527D
Chemical Name:
1,3,4-Oxadiazol-2(3H)-one, 5-(6-methyl-2-benzoxazolyl)-
CAS Number:
78620-17-4
Molecular Formula:
C10H7N3O3
Molecular Weight:
217.1809
IUPAC Name:
5-(6-methyl-1,3-benzoxazol-2-yl)-3H-1,3,4-oxadiazol-2-one
InChI:
InChI=1S/C10H7N3O3/c1-5-2-3-6-7(4-5)15-8(11-6)9-12-13-10(14)16-9/h2-4H,1H3,(H,13,14)
InChI Key:
RHAHKABNFWOMTK-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)oc(n2)c1n[nH]c(=O)o1
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.049g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.184g/mol
Monoisotopic Mass:
217.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.