2-(4-benzoylphenyl)-2-(2,4-dichlorophenyl)acetonitrile

2-(4-benzoylphenyl)-2-(2,4-dichlorophenyl)acetonitrile

CAS: 338965-54-1

Formula: C21H13Cl2NO

SMILES: ClC1=CC(Cl)=C(C=C1)C(C#N)C1=CC=C(C=C1)C(=O)C1=CC=CC=C1

IUPAC: 2-(4-benzoylphenyl)-2-(2,4-dichlorophenyl)acetonitrile

InChI: InChI=1/C21H13Cl2NO/c22-17-10-11-18(20(23)12-17)19(13-24)14-6-8-16(9-7-14)21(25)15-4-2-1-3-5-15/h1-12,19H

Composition: C (68.87%), H (3.58%), Cl (19.36%), N (3.82%), O (4.37%)

Molar Mass: 366.24

Atom Count: 38

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	365.0374194
Formal Charge	0
FSP3	0.05
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	WARHZDMYHQIOSZ-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	101.2
Topological Polar Surface Area	40.86
Polarizability	38.82
Ring Count	3
Rotatable Bond Count	4

Suppliers

Key Organics Ltd

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	338965-54-1		$51.35-$524.40$51.35$63.37$86.31$524.40