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Home > Nitro Compounds > 441289-28-7
441289-28-7 | 4-(5-{[(4-nitrophenyl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)pyridine
CAS No: 441289-28-7 Catalog No: AG00IPRA MDL No:MFCD02082756
Product Description
Catalog Number:
AG00IPRA
Chemical Name:
4-(5-{[(4-nitrophenyl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)pyridine
CAS Number:
441289-28-7
Molecular Formula:
C14H10N4O3S
Molecular Weight:
314.3192
MDL Number:
MFCD02082756
IUPAC Name:
2-[(4-nitrophenyl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole
InChI:
InChI=1S/C14H10N4O3S/c19-18(20)12-3-1-10(2-4-12)9-22-14-17-16-13(21-14)11-5-7-15-8-6-11/h1-8H,9H2
InChI Key:
UNQNIANBMFBFLI-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)CSc1nnc(o1)c1ccncc1
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.047g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.319g/mol
Monoisotopic Mass:
314.047g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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