2-Chloro-3-fluoronitrobenzene - CAS 21397-07-9

Catalog:	BB016816
Product Name:	2-Chloro-3-fluoronitrobenzene
CAS:	21397-07-9
Synonyms:	2-chloro-1-fluoro-3-nitrobenzene; 2-chloro-1-fluoro-3-nitrobenzene

Technical Data

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Computed Properties

IUPAC Name:	2-chloro-1-fluoro-3-nitrobenzene
Description:	2-Chloro-3-fluoronitrobenzene (CAS# 21397-07-9) is a useful research chemical.
Molecular Weight:	175.54
Molecular Formula:	C6H3ClFNO2
Canonical SMILES:	C1=CC(=C(C(=C1)F)Cl)[N+](=O)[O-]
InChI:	InChI=1S/C6H3ClFNO2/c7-6-4(8)2-1-3-5(6)9(10)11/h1-3H
InChI Key:	NJZSQTMICFLABM-UHFFFAOYSA-N
Boiling Point:	243.3 °C at 760 mmHg
Density:	1.494 g/cm³
MDL:	MFCD04112549
LogP:	2.91050

Publication Number	Title	Priority Date
CN-109369414-A	A method of preparing the chloro- 2,4 difluorobenzene amine of Teflubenzuron intermediate 3,5- bis-	20181115
CN-109704972-A	The preparation method of one kind 2,3,4- trifluoronitrobenzene	20171026
AU-2017387695-A1	(Aza)indole-, benzothiophene-, and benzofuran-3-sulfonamides	20161228
BR-112019012550-A2	(aza) indol-, benzothiophene- and benzofuran-3-sulfonamides	20161228
CA-3045244-A1	(aza)indole-, benzothiophene-, and benzofuran-3-sulfonamides	20161228

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Complexity:	161
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	174.9836342
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	174.9836342
Rotatable Bond Count:	0
Topological Polar Surface Area:	45.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5