Home Halogens 1,3,4-Oxadiazole, 2-chloro-5-phenyl-

1,3,4-Oxadiazole, 2-chloro-5-phenyl-

CAS No.:
1483-31-4
Catalog Number:
AG001FM1
Molecular Formula:
C8H5ClN2O
Molecular Weight:
180.5911
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Product Description
Catalog Number:
AG001FM1
Chemical Name:
1,3,4-Oxadiazole, 2-chloro-5-phenyl-
CAS Number:
1483-31-4
Molecular Formula:
C8H5ClN2O
Molecular Weight:
180.5911
MDL Number:
MFCD00598097
IUPAC Name:
2-chloro-5-phenyl-1,3,4-oxadiazole
InChI:
InChI=1S/C8H5ClN2O/c9-8-11-10-7(12-8)6-4-2-1-3-5-6/h1-5H
InChI Key:
QSGNNXKJPIMRPO-UHFFFAOYSA-N
SMILES:
Clc1nnc(o1)c1ccccc1
Properties
Complexity:
150  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.009g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.591g/mol
Monoisotopic Mass:
180.009g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties