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1269294-00-9 | 1H-Pyrazole, 1-(4-chlorophenyl)-5-(2-thienyl)-
CAS No: 1269294-00-9 Catalog No: AG000WDU MDL No:MFCD20275429
Product Description
Catalog Number:
AG000WDU
Chemical Name:
1H-Pyrazole, 1-(4-chlorophenyl)-5-(2-thienyl)-
CAS Number:
1269294-00-9
Molecular Formula:
C13H9ClN2S
Molecular Weight:
260.7420
MDL Number:
MFCD20275429
IUPAC Name:
1-(4-chlorophenyl)-5-thiophen-2-ylpyrazole
InChI:
InChI=1S/C13H9ClN2S/c14-10-3-5-11(6-4-10)16-12(7-8-15-16)13-2-1-9-17-13/h1-9H
InChI Key:
QVENJQOKKSMNJP-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)n1nccc1c1cccs1
Properties
Complexity:
256
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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