6-(trifluoromethyl)-1H-indazole-3-carboxylic acid

6-(trifluoromethyl)-1H-indazole-3-carboxylic acid

CAS: 887576-98-9

Formula: C9H5F3N2O2

SMILES: OC(=O)C1=NNC2=CC(=CC=C12)C(F)(F)F

IUPAC: 6-(trifluoromethyl)-1H-indazole-3-carboxylic acid

InChI: InChI=1S/C9H5F3N2O2/c10-9(11,12)4-1-2-5-6(3-4)13-14-7(5)8(15)16/h1-3H,(H,13,14)(H,15,16)

Composition: C (46.97%), H (2.19%), F (24.76%), N (12.17%), O (13.90%)

Molar Mass: 230.146

Atom Count: 21

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	230.030311898
Formal Charge	0
FSP3	0.11
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	PUNYEWFCUQQVCA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.93
Topological Polar Surface Area	65.98
Polarizability	18.25
Ring Count	2
Rotatable Bond Count	2

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