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876316-45-9 | 1H-Pyrazole-5-carbonylchloride, 1-methyl-3-(2-thienyl)-
CAS No: 876316-45-9 Catalog No: AG004HVL MDL No:MFCD08271955
Product Description
Catalog Number:
AG004HVL
Chemical Name:
1H-Pyrazole-5-carbonylchloride, 1-methyl-3-(2-thienyl)-
CAS Number:
876316-45-9
Molecular Formula:
C9H7ClN2OS
Molecular Weight:
226.6827
MDL Number:
MFCD08271955
IUPAC Name:
2-methyl-5-thiophen-2-ylpyrazole-3-carbonyl chloride
InChI:
InChI=1S/C9H7ClN2OS/c1-12-7(9(10)13)5-6(11-12)8-3-2-4-14-8/h2-5H,1H3
InChI Key:
RWNPHTCQXYXZQA-UHFFFAOYSA-N
SMILES:
ClC(=O)c1cc(nn1C)c1cccs1
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.997g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.678g/mol
Monoisotopic Mass:
225.997g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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