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876316-96-0 | 1H-Pyrazole,5-(chloromethyl)-1-methyl-3-(2-thienyl)-
CAS No: 876316-96-0 Catalog No: AG004LE9 MDL No:MFCD08435886
Product Description
Catalog Number:
AG004LE9
Chemical Name:
1H-Pyrazole,5-(chloromethyl)-1-methyl-3-(2-thienyl)-
CAS Number:
876316-96-0
Molecular Formula:
C9H9ClN2S
Molecular Weight:
212.6992
MDL Number:
MFCD08435886
IUPAC Name:
5-(chloromethyl)-1-methyl-3-thiophen-2-ylpyrazole
InChI:
InChI=1S/C9H9ClN2S/c1-12-7(6-10)5-8(11-12)9-3-2-4-13-9/h2-5H,6H2,1H3
InChI Key:
GQMRXNSYTBKJTB-UHFFFAOYSA-N
SMILES:
ClCc1cc(nn1C)c1cccs1
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.017g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.695g/mol
Monoisotopic Mass:
212.017g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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