2-({4-[2-(3,4-dichlorophenyl)ethyl]phenyl}amino)benzoic acid

2-({4-[2-(3,4-dichlorophenyl)ethyl]phenyl}amino)benzoic acid

CAS: 313674-97-4

Formula: C21H17Cl2NO2

SMILES: OC(=O)C1=CC=CC=C1NC1=CC=C(CCC2=CC=C(Cl)C(Cl)=C2)C=C1

IUPAC: 2-({4-[2-(3,4-dichlorophenyl)ethyl]phenyl}amino)benzoic acid

InChI: InChI=1S/C21H17Cl2NO2/c22-18-12-9-15(13-19(18)23)6-5-14-7-10-16(11-8-14)24-20-4-2-1-3-17(20)21(25)26/h1-4,7-13,24H,5-6H2,(H,25,26)

Composition: C (65.30%), H (4.44%), Cl (18.35%), N (3.63%), O (8.28%)

Molar Mass: 386.27

Atom Count: 43

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	385.0636342
Formal Charge	0
FSP3	0.1
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	ZCQOSCDABPVAFB-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	105.75
Topological Polar Surface Area	49.33
Polarizability	40.27
Ring Count	3
Rotatable Bond Count	6

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98%	<4 Days	313674-97-4		$205.62-$510.62$205.62$300.41$510.62