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

5-chloro-3-methyl-1H-pyrazole-4-carboxylic acid

CAS No.:
1093414-62-0
Catalog Number:
AG01E91V
Molecular Formula:
C5H5ClN2O2
Molecular Weight:
160.5584
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01E91V
Chemical Name:
5-chloro-3-methyl-1H-pyrazole-4-carboxylic acid
CAS Number:
1093414-62-0
Molecular Formula:
C5H5ClN2O2
Molecular Weight:
160.5584
MDL Number:
MFCD00995442
IUPAC Name:
3-chloro-5-methyl-1H-pyrazole-4-carboxylic acid
InChI:
InChI=1S/C5H5ClN2O2/c1-2-3(5(9)10)4(6)8-7-2/h1H3,(H,7,8)(H,9,10)
InChI Key:
YZRGCZRXBDFQPO-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(Cl)[nH]nc1C
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:
2  
Isotope Atom Count:
0
Molecular Weight:
160.557g/mol
Monoisotopic Mass:
160.004g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties