4-(3,4-dichlorophenyl)-4-phenylbutanoic acid

4-(3,4-dichlorophenyl)-4-phenylbutanoic acid

CAS: 79560-18-2

Formula: C16H14Cl2O2

SMILES: OC(=O)CCC(C1=CC=CC=C1)C1=CC=C(Cl)C(Cl)=C1

IUPAC: 4-(3,4-dichlorophenyl)-4-phenylbutanoic acid

InChI: InChI=1/C16H14Cl2O2/c17-14-8-6-12(10-15(14)18)13(7-9-16(19)20)11-4-2-1-3-5-11/h1-6,8,10,13H,7,9H2,(H,19,20)

Composition: C (62.16%), H (4.56%), Cl (22.93%), O (10.35%)

Molar Mass: 309.19

Atom Count: 34

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	308.0370851
Formal Charge	0
FSP3	0.19
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	ZBLZQVJTLMFDCG-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	80.82
Topological Polar Surface Area	37.3
Polarizability	31.57
Ring Count	2
Rotatable Bond Count	5

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<7 Days	79560-18-2		$163.53-$244.26$163.53$244.26