3-amino-5-(trifluoromethyl)phenol

3-amino-5-(trifluoromethyl)phenol

CAS: 401-86-5

Formula: C7H6F3NO

SMILES: NC1=CC(=CC(O)=C1)C(F)(F)F

IUPAC: 3-amino-5-(trifluoromethyl)phenol

InChI: InChI=1S/C7H6F3NO/c8-7(9,10)4-1-5(11)3-6(12)2-4/h1-3,12H,11H2

Composition: C (47.47%), H (3.41%), F (32.18%), N (7.91%), O (9.03%)

Molar Mass: 177.126

Atom Count: 18

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	177.040148306
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	ZXFYLYRXLSAJEU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	38.71
Topological Polar Surface Area	46.25
Polarizability	13.38
Ring Count	1
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	401-86-5		$339.25-$977.50$339.25$488.75$977.50