4-(3,4-Dichlorophenyl)-4-phenylbut-3-enoic Acid - CAS 79560-17-1

Catalog:	BB068005
Product Name:	4-(3,4-Dichlorophenyl)-4-phenylbut-3-enoic Acid
CAS:	79560-17-1
Synonyms:	4-(3,4-Dichlorophenyl)-4-phenyl-3-butenoic Acid; (E)-4-(3,4-Dichlorophenyl)-4-phenylbut-3-enoic Acid

Technical Data

IUPAC Name:	4-(3,4-dichlorophenyl)-4-phenylbut-3-enoic acid
Description:	4-(3,4-Dichlorophenyl)-4-phenylbut-3-enoic Acid has been used as a reactant in the preparation of trans-1-amino-4-aryltetralin derivatives as nontricyclic antidepressant agents
Molecular Weight:	307.17
Molecular Formula:	C16H12Cl2O2
Canonical SMILES:	C1=CC=C(C=C1)C(=CCC(=O)O)C2=CC(=C(C=C2)Cl)Cl
InChI:	InChI=1S/C16H12Cl2O2/c17-14-8-6-12(10-15(14)18)13(7-9-16(19)20)11-4-2-1-3-5-11/h1-8,10H,9H2,(H,19,20)
InChI Key:	SBSRZRLDJSBWQH-UHFFFAOYSA-N
References:	Welch, W.M., et. al. J. Med. Chem., 27, 1508 (1984).

Complexity:	362
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	306.021435
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	306.021435
Rotatable Bond Count:	4
Topological Polar Surface Area:	37.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	1
XLogP3:	5.7