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846548-87-6 | Pyridine, 2-chloro-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-
CAS No: 846548-87-6 Catalog No: AG004SZR MDL No:
Product Description
Catalog Number:
AG004SZR
Chemical Name:
Pyridine, 2-chloro-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-
CAS Number:
846548-87-6
Molecular Formula:
C14H10ClN3O
Molecular Weight:
271.7017
IUPAC Name:
2-[(6-chloropyridin-3-yl)methyl]-5-phenyl-1,3,4-oxadiazole
InChI:
InChI=1S/C14H10ClN3O/c15-12-7-6-10(9-16-12)8-13-17-18-14(19-13)11-4-2-1-3-5-11/h1-7,9H,8H2
InChI Key:
NPGBTYLEHLYKJW-UHFFFAOYSA-N
SMILES:
Clc1ccc(cn1)Cc1nnc(o1)c1ccccc1
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.051g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.704g/mol
Monoisotopic Mass:
271.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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