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


Chemical Name: 4-fluoro-1H-indazole-5-carboxylic acid
CAS Number: 1041481-59-7
Product Number: AG0038CC(AGN-PC-03MZ09)
Synonyms:
MDL No:
Molecular Formula: C8H5FN2O2
Molecular Weight: 180.1359

Identification/Properties


Computed Properties
Molecular Weight:
180.138g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
180.034g/mol
Monoisotopic Mass:
180.034g/mol
Topological Polar Surface Area:
66A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
224
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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