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1269294-21-4 | 1H-Pyrazole, 1-(3-chlorophenyl)-5-(2-thienyl)-
CAS No: 1269294-21-4 Catalog No: AG000WER MDL No:MFCD20275428
Product Description
Catalog Number:
AG000WER
Chemical Name:
1H-Pyrazole, 1-(3-chlorophenyl)-5-(2-thienyl)-
CAS Number:
1269294-21-4
Molecular Formula:
C13H9ClN2S
Molecular Weight:
260.7420
MDL Number:
MFCD20275428
IUPAC Name:
1-(3-chlorophenyl)-5-thiophen-2-ylpyrazole
InChI:
InChI=1S/C13H9ClN2S/c14-10-3-1-4-11(9-10)16-12(6-7-15-16)13-5-2-8-17-13/h1-9H
InChI Key:
GIPIFUSQEVHSQM-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)n1nccc1c1cccs1
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.017g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.739g/mol
Monoisotopic Mass:
260.017g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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