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Home Carboxys 3-Chloro-1-methyl-1h-pyrazole-5-carboxylic acid

3-Chloro-1-methyl-1h-pyrazole-5-carboxylic acid

CAS No.:
173841-02-6
Catalog Number:
AG001Z8E
Molecular Formula:
C5H5ClN2O2
Molecular Weight:
160.5584
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$339
- +
1g
97%
1 week
United States
$509
- +
5g
97%
1 week
United States
$1587
- +
Product Description
Catalog Number:
AG001Z8E
Chemical Name:
3-Chloro-1-methyl-1h-pyrazole-5-carboxylic acid
CAS Number:
173841-02-6
Molecular Formula:
C5H5ClN2O2
Molecular Weight:
160.5584
MDL Number:
MFCD19687914
IUPAC Name:
5-chloro-2-methylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C5H5ClN2O2/c1-8-3(5(9)10)2-4(6)7-8/h2H,1H3,(H,9,10)
InChI Key:
CSKGTUGORXMNNS-UHFFFAOYSA-N
SMILES:
Cn1nc(cc1C(=O)O)Cl
Properties
Complexity:
153  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.004g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
160.557g/mol
Monoisotopic Mass:
160.004g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Literature
Title Journal
Comparative study on kynurenic acid production in the rat striatum by tryptophan enantiomers: an in vivo microdialysis study. Chirality 20110101
Pyrazolecarboxylic acid derivative induces systemic acquired resistance in tobacco. Bioscience, biotechnology, and biochemistry 20031201
Properties