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2639-17-0 | 1,3,4-Oxadiazole, 2,5-bis(3-chlorophenyl)-
CAS No: 2639-17-0 Catalog No: AG002T11 MDL No:MFCD00834352
Product Description
Catalog Number:
AG002T11
Chemical Name:
1,3,4-Oxadiazole, 2,5-bis(3-chlorophenyl)-
CAS Number:
2639-17-0
Molecular Formula:
C14H8Cl2N2O
Molecular Weight:
291.1321
MDL Number:
MFCD00834352
IUPAC Name:
2,5-bis(3-chlorophenyl)-1,3,4-oxadiazole
InChI:
InChI=1S/C14H8Cl2N2O/c15-11-5-1-3-9(7-11)13-17-18-14(19-13)10-4-2-6-12(16)8-10/h1-8H
InChI Key:
RFLKLLSKJNPBDD-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)c1nnc(o1)c1cccc(c1)Cl
NSC Number:
90457
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.001g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.131g/mol
Monoisotopic Mass:
290.001g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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