Home Carboxys 4-Chloro-1h-pyrazole-3-carboxylic acid

4-Chloro-1h-pyrazole-3-carboxylic acid

CAS No.:
84547-87-5
Catalog Number:
AG004RA7
Molecular Formula:
C4H3ClN2O2
Molecular Weight:
146.5318
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
96%
In Stock USA
United States
$100
- +
1g
95%
In Stock USA
United States
$129
- +
Product Description
Catalog Number:
AG004RA7
Chemical Name:
4-Chloro-1h-pyrazole-3-carboxylic acid
CAS Number:
84547-87-5
Molecular Formula:
C4H3ClN2O2
Molecular Weight:
146.5318
MDL Number:
MFCD01459881
IUPAC Name:
4-chloro-1H-pyrazole-5-carboxylic acid
InChI:
InChI=1S/C4H3ClN2O2/c5-2-1-6-7-3(2)4(8)9/h1H,(H,6,7)(H,8,9)
InChI Key:
ZOLUACWHRMUETA-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(Cl)cn[nH]1
Properties
Complexity:
130  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.988g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
146.53g/mol
Monoisotopic Mass:
145.988g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties