2-Chloro-4-fluorophenyl Isocyanate - CAS 1016788-39-8

Catalog:	BB000598
Product Name:	2-Chloro-4-fluorophenyl Isocyanate
CAS:	1016788-39-8
Synonyms:	2-chloro-4-fluoro-1-isocyanatobenzene; 2-chloro-4-fluoro-1-isocyanatobenzene

Technical Data

Patents

Computed Properties

IUPAC Name:	2-chloro-4-fluoro-1-isocyanatobenzene
Description:	2-Chloro-4-fluorophenyl Isocyanate (CAS# 1016788-39-8) is a useful research chemical.
Molecular Weight:	171.56
Molecular Formula:	C7H3ClFNO
Canonical SMILES:	C1=CC(=C(C=C1F)Cl)N=C=O
InChI:	InChI=1S/C7H3ClFNO/c8-6-3-5(9)1-2-7(6)10-4-11/h1-3H
InChI Key:	ABZXFFSLKUIGHE-UHFFFAOYSA-N
LogP:	2.44640

Publication Number	Title	Priority Date
CN-105646448-A	Pyridine compounds and application thereof	20160203
CN-105646448-B	Pyridine compounds and their and application thereof	20160203
CN-104292170-A	Quinazolinyl-aryl urea derivatives with antitumor function and application thereof	20140922
CN-104292170-B	There is quinazoline-Arylurea derivatives and the application thereof of antitumor action	20140922
US-2016009693-A1	Herbicidal compounds	20130308

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Complexity:	181
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	170.9887196
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	170.9887196
Rotatable Bond Count:	1
Topological Polar Surface Area:	29.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.5