2-Chloro-3-fluorotoluene - CAS 116850-28-3

Catalog:	BB003817
Product Name:	2-Chloro-3-fluorotoluene
CAS:	116850-28-3
Synonyms:	2-chloro-1-fluoro-3-methylbenzene; 2-chloro-1-fluoro-3-methylbenzene

Technical Data

Patents

Computed Properties

IUPAC Name:	2-chloro-1-fluoro-3-methylbenzene
Description:	2-Chloro-3-fluorotoluene (CAS# 116850-28-3) is a useful research chemical.
Molecular Weight:	144.57
Molecular Formula:	C7H6ClF
Canonical SMILES:	CC1=C(C(=CC=C1)F)Cl
InChI:	InChI=1S/C7H6ClF/c1-5-3-2-4-6(9)7(5)8/h2-4H,1H3
InChI Key:	YSCFYJSLWLBAND-UHFFFAOYSA-N
Boiling Point:	164.4 °C at 760 mmHg
Density:	1.186 g/cm³
LogP:	2.78750

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Complexity:	94.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	144.014206
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	144.014206
Rotatable Bond Count:	0
Topological Polar Surface Area:	0
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3