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876316-61-9 | 1H-Pyrazole,3-(chloromethyl)-1-methyl-5-(2-thienyl)-
CAS No: 876316-61-9 Catalog No: AG004ONQ MDL No:MFCD08435883
Product Description
Catalog Number:
AG004ONQ
Chemical Name:
1H-Pyrazole,3-(chloromethyl)-1-methyl-5-(2-thienyl)-
CAS Number:
876316-61-9
Molecular Formula:
C9H9ClN2S
Molecular Weight:
212.6992
MDL Number:
MFCD08435883
IUPAC Name:
3-(chloromethyl)-1-methyl-5-thiophen-2-ylpyrazole
InChI:
InChI=1S/C9H9ClN2S/c1-12-8(5-7(6-10)11-12)9-3-2-4-13-9/h2-5H,6H2,1H3
InChI Key:
ODLZAEGCJDMPOT-UHFFFAOYSA-N
SMILES:
ClCc1nn(c(c1)c1cccs1)C
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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