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

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

CAS No.:
1378676-83-5
Catalog Number:
AG01DVYV
Molecular Formula:
C5H4Cl2N2O2
Molecular Weight:
195.0035
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01DVYV
Chemical Name:
4,5-dichloro-1-methyl-1H-pyrazole-3-carboxylic acid
CAS Number:
1378676-83-5
Molecular Formula:
C5H4Cl2N2O2
Molecular Weight:
195.0035
MDL Number:
MFCD20655978
IUPAC Name:
4,5-dichloro-1-methylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C5H4Cl2N2O2/c1-9-4(7)2(6)3(8-9)5(10)11/h1H3,(H,10,11)
InChI Key:
GPSNDVKYKNMGGU-UHFFFAOYSA-N
SMILES:
OC(=O)c1nn(c(c1Cl)Cl)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