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1-(2-Chloroethyl)-2-fluorobenzene

1-(2-Chloroethyl)-2-fluorobenzene - CAS 119779-12-3

Catalog:	BB004630
Product Name:	1-(2-Chloroethyl)-2-fluorobenzene
CAS:	119779-12-3
Synonyms:	1-(2-chloroethyl)-2-fluorobenzene; 1-(2-chloroethyl)-2-fluorobenzene

Technical Data

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Computed Properties

IUPAC Name:	1-(2-chloroethyl)-2-fluorobenzene
Description:	1-(2-Chloroethyl)-2-fluorobenzene (CAS# 119779-12-3) is a useful research chemical.
Molecular Weight:	158.60
Molecular Formula:	C8H8ClF
Canonical SMILES:	C1=CC=C(C(=C1)CCCl)F
InChI:	InChI=1S/C8H8ClF/c9-6-5-7-3-1-2-4-8(7)10/h1-4H,5-6H2
InChI Key:	JVLRUIIRRJELIJ-UHFFFAOYSA-N
LogP:	2.60700

Publication Number	Title	Priority Date
US-2015336949-A1	3-(Pyrazolyl)-1H-Pyrrolo[2,3-b]Pyridine Derivatives as Kinase Inhibitors	20120703
US-9353107-B2	3-(pyrazolyl)-1H-pyrrolo[2,3-b]pyridine derivatives as kinase inhibitors	20120703
WO-2014006554-A1	3-(PYRAZOLYL)-1H-PYRROLO[2,3-b]PYRIDINE DERIVATIVES AS KINASE INHIBITORS	20120703
TW-201406739-A	Novel indanyloxydihydrobenzofuranacetic acid	20120430
EP-1751131-A1	Mtp inhibiting aryl piperidines or piperazines substituted with 5-membered heterocycles	20040310

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Complexity:	95.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	158.0298561
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	158.0298561
Rotatable Bond Count:	2
Topological Polar Surface Area:	0
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9