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Home > Nitro Compounds > 1269292-53-6
1269292-53-6 | 1H-Pyrazole, 1-(4-nitrophenyl)-5-(2-thienyl)-
CAS No: 1269292-53-6 Catalog No: AG000TJ7 MDL No:MFCD20275432
Product Description
Catalog Number:
AG000TJ7
Chemical Name:
1H-Pyrazole, 1-(4-nitrophenyl)-5-(2-thienyl)-
CAS Number:
1269292-53-6
Molecular Formula:
C13H9N3O2S
Molecular Weight:
271.2945
MDL Number:
MFCD20275432
IUPAC Name:
1-(4-nitrophenyl)-5-thiophen-2-ylpyrazole
InChI:
InChI=1S/C13H9N3O2S/c17-16(18)11-5-3-10(4-6-11)15-12(7-8-14-15)13-2-1-9-19-13/h1-9H
InChI Key:
HMFGKUNVTVASFT-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)n1nccc1c1cccs1
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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