2-Chloro-3-fluorobenzonitrile - CAS 874781-08-5

Name: 2-Chloro-3-fluorobenzonitrile
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB038474
Product Name:	2-Chloro-3-fluorobenzonitrile
CAS:	874781-08-5
Synonyms:	2-chloro-3-fluorobenzonitrile; 2-chloro-3-fluorobenzonitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	2-chloro-3-fluorobenzonitrile
Description:	2-Chloro-3-fluorobenzonitrile (CAS# 874781-08-5) is a useful research chemical.
Molecular Weight:	155.56
Molecular Formula:	C7H3ClFN
Canonical SMILES:	C1=CC(=C(C(=C1)F)Cl)C#N
InChI:	InChI=1S/C7H3ClFN/c8-7-5(4-10)2-1-3-6(7)9/h1-3H
InChI Key:	ROXFZJBRIXTCPI-UHFFFAOYSA-N
Boiling Point:	232.691 °C at 760 mmHg
Purity:	95 %
Density:	1.339 g/cm³
MDL:	MFCD03407966
LogP:	2.35078

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Related Functional Groups

Nitrogen Compounds

[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[333311-69-6]C12H12BrN3O2
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[51355-91-0]C6H8ClN3O2
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]C4H4ClN3O2
1-(Chloromethyl)-3-nitro-1H-pyrazole
[1170836-25-5]C8H11N3O2
1-Cyclopentyl-5-nitro-1H-pyrazole
[55877-31-1]C9H5NO
1-Benzofuran-3-carbonitrile

Publication Number	Title	Priority Date
US-2021047294-A1	Imidazolyl pyrimidinylamine compounds as cdk2 inhibitors	20190814
WO-2021030537-A1	Imidazolyl pyrimidinylamine compounds as cdk2 inhibitors	20190814
DE-102016121562-A1	Organic molecules, in particular for use in organic optoelectronic devices	20161110
DE-102016121562-B4	Organic molecules, in particular for use in organic optoelectronic devices	20161110
CN-104744305-A	Synthesis method of 2,4-dichloro-3-cyan-5-fluorobenzoic acid	20150313

Complexity:	162
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	154.993805
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	154.993805
Rotatable Bond Count:	0
Topological Polar Surface Area:	23.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4