Home Halogens 4-chloro-1H-indazole-5-carboxylic acid

4-chloro-1H-indazole-5-carboxylic acid

CAS No.:
1890325-99-1
Catalog Number:
AG01DW2U
Molecular Formula:
C8H5ClN2O2
Molecular Weight:
196.5905
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Product Description
Catalog Number:
AG01DW2U
Chemical Name:
4-chloro-1H-indazole-5-carboxylic acid
CAS Number:
1890325-99-1
Molecular Formula:
C8H5ClN2O2
Molecular Weight:
196.5905
MDL Number:
MFCD31666667
IUPAC Name:
4-chloro-1H-indazole-5-carboxylic acid
InChI:
InChI=1S/C8H5ClN2O2/c9-7-4(8(12)13)1-2-6-5(7)3-10-11-6/h1-3H,(H,10,11)(H,12,13)
InChI Key:
XSQUXNABXVRJHD-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1Cl)cn[nH]2
Properties
Complexity:
224  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.004g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
196.59g/mol
Monoisotopic Mass:
196.004g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties