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Home > Nitro Compounds > 1269293-11-9
1269293-11-9 | 1H-Pyrazole, 1-(4-nitrophenyl)-5-(3-thienyl)-
CAS No: 1269293-11-9 Catalog No: AG000WDR MDL No:MFCD20275420
Product Description
Catalog Number:
AG000WDR
Chemical Name:
1H-Pyrazole, 1-(4-nitrophenyl)-5-(3-thienyl)-
CAS Number:
1269293-11-9
Molecular Formula:
C13H9N3O2S
Molecular Weight:
271.2945
MDL Number:
MFCD20275420
IUPAC Name:
1-(4-nitrophenyl)-5-thiophen-3-ylpyrazole
InChI:
InChI=1S/C13H9N3O2S/c17-16(18)12-3-1-11(2-4-12)15-13(5-7-14-15)10-6-8-19-9-10/h1-9H
InChI Key:
VCXHRQIZKSIXLU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)n1nccc1c1cscc1
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.042g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.294g/mol
Monoisotopic Mass:
271.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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