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13148-63-5 | 1,3,4-Oxadiazole, 2-(phenylmethyl)-
CAS No: 13148-63-5 Catalog No: AG000WA2 MDL No:
Product Description
Catalog Number:
AG000WA2
Chemical Name:
1,3,4-Oxadiazole, 2-(phenylmethyl)-
CAS Number:
13148-63-5
Molecular Formula:
C9H8N2O
Molecular Weight:
160.1726
IUPAC Name:
2-benzyl-1,3,4-oxadiazole
InChI:
InChI=1S/C9H8N2O/c1-2-4-8(5-3-1)6-9-11-10-7-12-9/h1-5,7H,6H2
InChI Key:
QBXCAUWVKMECDN-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)Cc1nnco1
Properties
Complexity:
135
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.064g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.176g/mol
Monoisotopic Mass:
160.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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