(E)-2-(3-Chloro-1-propenyl)-1,4-difluorobenzene - CAS 149946-42-9

Catalog:	BB069789
Product Name:	(E)-2-(3-Chloro-1-propenyl)-1,4-difluorobenzene
CAS:	149946-42-9
Synonyms:	2-[(1E)-3-Chloro-1-propen-1-yl]-1,4-difluorobenzene; 2-((1E)-3-Chloroprop-1-en-1-yl)-1,4-difluorobenzene; (E)-2-(3-Chloroprop-1-en-1-yl)-1,4-difluorobenzene

Technical Data

IUPAC Name:	2-[(E)-3-chloroprop-1-enyl]-1,4-difluorobenzene
Description:	(E)-2-(3-Chloro-1-propenyl)-1,4-difluorobenzene can be useful in the preparation of phthalazineacetic acid derivative as aldose reductase inhibitor. It may also be useful in the preparation of quinolinones and analogs as antimicrobials.
Molecular Weight:	188.6
Molecular Formula:	C9H7ClF2
Canonical SMILES:	C1=CC(=C(C=C1F)C=CCCl)F
InChI:	InChI=1S/C9H7ClF2/c10-5-1-2-7-6-8(11)3-4-9(7)12/h1-4,6H,5H2/b2-1+
InChI Key:	BQORONBSXKWTEZ-OWOJBTEDSA-N
References:	Collonges, F., et al. PCT Int. Appl., 59 pp. (1993); Bigot, A., et al. Fr. Demande, 67 pp. (2004); Breault, G., et al. PCT Int. Appl., 209 pp. (2006).

Complexity:	159
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	188.0204342
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	188.0204342
Rotatable Bond Count:	2
Topological Polar Surface Area:	0Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2