2-amino-6-(trifluoromethyl)benzoic acid hydrochloride

2-amino-6-(trifluoromethyl)benzoic acid hydrochloride

CAS: 918667-28-4

Formula: C8H7ClF3NO2

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

IUPAC: 2-amino-6-(trifluoromethyl)benzoic acid hydrochloride

InChI: InChI=1S/C8H6F3NO2.ClH/c9-8(10,11)4-2-1-3-5(12)6(4)7(13)14;/h1-3H,12H2,(H,13,14);1H

Composition: C (39.77%), H (2.92%), Cl (14.67%), F (23.59%), N (5.80%), O (13.24%)

Molar Mass: 241.59

Atom Count: 22

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	241.0117407
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	YGSNRIVWQPNEIT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.99
Topological Polar Surface Area	63.32
Polarizability	15.21
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<5 Days	918667-28-4		$49.18-$393.43$49.18$64.31$129.88$393.43