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Home > Nitro Compounds > 144726-79-4
144726-79-4 | 2-[3-(4-Nitrophenyl)-1,2,4-oxadiazol-5-yl]phenol
CAS No: 144726-79-4 Catalog No: AG01F9M5 MDL No:
Product Description
Catalog Number:
AG01F9M5
Chemical Name:
2-[3-(4-Nitrophenyl)-1,2,4-oxadiazol-5-yl]phenol
CAS Number:
144726-79-4
Molecular Formula:
C14H9N3O4
Molecular Weight:
283.2390
IUPAC Name:
2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]phenol
InChI:
InChI=1S/C14H9N3O4/c18-12-4-2-1-3-11(12)14-15-13(16-21-14)9-5-7-10(8-6-9)17(19)20/h1-8,18H
InChI Key:
YHSDQSNJVVICQU-UHFFFAOYSA-N
SMILES:
Oc1ccccc1c1onc(n1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.059g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.243g/mol
Monoisotopic Mass:
283.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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