Home Carboxys 4-Chloro-1-methyl-1h-pyrazole-5-carboxylic acid

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

CAS No.:
84547-83-1
Catalog Number:
AG008HN5
Molecular Formula:
C5H5ClN2O2
Molecular Weight:
160.5584
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$226
- +
5g
95%
In Stock USA
United States
$671
- +
Product Description
Catalog Number:
AG008HN5
Chemical Name:
4-Chloro-1-methyl-1h-pyrazole-5-carboxylic acid
CAS Number:
84547-83-1
Molecular Formula:
C5H5ClN2O2
Molecular Weight:
160.5584
MDL Number:
MFCD00463989
IUPAC Name:
4-chloro-2-methylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C5H5ClN2O2/c1-8-4(5(9)10)3(6)2-7-8/h2H,1H3,(H,9,10)
InChI Key:
SOCMTMNWGCJGLA-UHFFFAOYSA-N
SMILES:
Cn1ncc(c1C(=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:
0.7  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties