Home Carboxys 4-Fluoro-1H-indazole-3-carboxylic acid

4-Fluoro-1H-indazole-3-carboxylic acid

CAS No.:
885521-64-2
Catalog Number:
AG004CPA
Molecular Formula:
C8H5FN2O2
Molecular Weight:
180.1359
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Product Description
Catalog Number:
AG004CPA
Chemical Name:
4-Fluoro-1H-indazole-3-carboxylic acid
CAS Number:
885521-64-2
Molecular Formula:
C8H5FN2O2
Molecular Weight:
180.1359
MDL Number:
MFCD07781593
IUPAC Name:
4-fluoro-1H-indazole-3-carboxylic acid
InChI:
InChI=1S/C8H5FN2O2/c9-4-2-1-3-5-6(4)7(8(12)13)11-10-5/h1-3H,(H,10,11)(H,12,13)
InChI Key:
PVBIDQDQVMTZMT-UHFFFAOYSA-N
SMILES:
OC(=O)c1n[nH]c2c1c(F)ccc2
Properties
Complexity:
224  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.034g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
180.138g/mol
Monoisotopic Mass:
180.034g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties