2-amino-4-fluoro-5-(trifluoromethyl)benzoic acid

2-amino-4-fluoro-5-(trifluoromethyl)benzoic acid

Formula: C8H5F4NO2

SMILES: NC1=CC(F)=C(C=C1C(O)=O)C(F)(F)F

IUPAC: 2-amino-4-fluoro-5-(trifluoromethyl)benzoic acid

InChI: InChI=1S/C8H5F4NO2/c9-5-2-6(13)3(7(14)15)1-4(5)8(10,11)12/h1-2H,13H2,(H,14,15)

Composition: C (43.06%), H (2.26%), F (34.06%), N (6.28%), O (14.34%)

Molar Mass: 223.127

Atom Count: 20

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	223.025641057
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	HZOXFSHBNJIBDZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.2
Topological Polar Surface Area	63.32
Polarizability	15.16
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C8H5F4NO2		Quote Only