2-hydroxy-5-({[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]methyl}amino)benzoic acid

2-hydroxy-5-({[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]methyl}amino)benzoic acid

CAS: 640290-67-1

Formula: C15H8F7NO3

SMILES: OC(=O)C1=CC(NCC2=C(F)C(F)=C(C(F)=C2F)C(F)(F)F)=CC=C1O

IUPAC: 2-hydroxy-5-({[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]methyl}amino)benzoic acid

InChI: InChI=1S/C15H8F7NO3/c16-10-7(11(17)13(19)9(12(10)18)15(20,21)22)4-23-5-1-2-8(24)6(3-5)14(25)26/h1-3,23-24H,4H2,(H,25,26)

Composition: C (47.01%), H (2.10%), F (34.70%), N (3.66%), O (12.52%)

Molar Mass: 383.222

Atom Count: 34

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	383.039240263
Formal Charge	0
FSP3	0.13
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	HABROHXUHNHQMY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	76.94
Topological Polar Surface Area	69.56
Polarizability	26.6
Ring Count	2
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
99%	<7 Days	640290-67-1		$215.28-$3,024.27$215.28$485.42$802.13$2,072.07$3,024.27

AA BLOCKS INC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
99%	<6 Days	640290-67-1		$142.60-$2,404.65$142.60$359.95$615.25$1,637.60$2,404.65