Home Halogens 3,5-dichloro-1-methyl-1H-pyrazole-4-carboxylic acid

3,5-dichloro-1-methyl-1H-pyrazole-4-carboxylic acid

CAS No.:
134589-53-0
Catalog Number:
AG01B6XE
Molecular Formula:
C5H4Cl2N2O2
Molecular Weight:
195.0035
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Product Description
Catalog Number:
AG01B6XE
Chemical Name:
3,5-dichloro-1-methyl-1H-pyrazole-4-carboxylic acid
CAS Number:
134589-53-0
Molecular Formula:
C5H4Cl2N2O2
Molecular Weight:
195.0035
MDL Number:
MFCD20644726
IUPAC Name:
3,5-dichloro-1-methylpyrazole-4-carboxylic acid
InChI:
InChI=1S/C5H4Cl2N2O2/c1-9-4(7)2(5(10)11)3(6)8-9/h1H3,(H,10,11)
InChI Key:
MMDIWOSRSLNHLA-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(Cl)nn(c1Cl)C
Properties
Complexity:
178  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.965g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
194.999g/mol
Monoisotopic Mass:
193.965g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties