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Home > Nitro Compounds > 477862-10-5
477862-10-5 | 2-(4-tert-butylphenyl)-5-{[(4-nitrophenyl)methyl]sulfanyl}-1,3,4-oxadiazole
CAS No: 477862-10-5 Catalog No: AG00INQM MDL No:MFCD02082788
Product Description
Catalog Number:
AG00INQM
Chemical Name:
2-(4-tert-butylphenyl)-5-{[(4-nitrophenyl)methyl]sulfanyl}-1,3,4-oxadiazole
CAS Number:
477862-10-5
Molecular Formula:
C19H19N3O3S
Molecular Weight:
369.4375
MDL Number:
MFCD02082788
IUPAC Name:
2-(4-tert-butylphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-oxadiazole
InChI:
InChI=1S/C19H19N3O3S/c1-19(2,3)15-8-6-14(7-9-15)17-20-21-18(25-17)26-12-13-4-10-16(11-5-13)22(23)24/h4-11H,12H2,1-3H3
InChI Key:
WOQLBWGDYGWKAN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)CSc1nnc(o1)c1ccc(cc1)C(C)(C)C
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.115g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
369.439g/mol
Monoisotopic Mass:
369.115g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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