2-Chloro-4-formylbenzonitrile - CAS 101048-77-5

Catalog:	BB000425
Product Name:	2-Chloro-4-formylbenzonitrile
CAS:	101048-77-5
Synonyms:	2-chloro-4-formylbenzonitrile; 2-chloro-4-formylbenzonitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	2-chloro-4-formylbenzonitrile
Description:	2-Chloro-4-formylbenzonitrile (CAS# 101048-77-5) is a useful research chemical.
Molecular Weight:	165.58
Molecular Formula:	C8H4ClNO
Canonical SMILES:	C1=CC(=C(C=C1C=O)Cl)C#N
InChI:	InChI=1S/C8H4ClNO/c9-8-3-6(5-11)1-2-7(8)4-10/h1-3,5H
InChI Key:	GZELPDCDUYPUTD-UHFFFAOYSA-N
LogP:	2.02418

Publication Number	Title	Priority Date
CN-111825657-A	Dual-function chimeric heterocyclic compound for targeted degradation of androgen receptor and application thereof	20190418
WO-2020211822-A1	A class of bifunctional chimeric heterocyclic compounds for targeted degradation of androgen receptors and use thereof	20190418
AU-2017380282-A1	Pyran derivatives as cyp11a1 (cytochrome p450 monooxygenase 11a1) inhibitors	20161222
BR-112019012906-A2	pyran derivatives as cyp11a1 inhibitors (cytochrome p450 monooxygenase 11a1)	20161222
CA-3047370-A1	Pyran dervatives as cyp11a1 (cytochrome p450 monooxygenase 11a1) inhibitors	20161222

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride

Complexity:	196
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	164.9981414
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	164.9981414
Rotatable Bond Count:	1
Topological Polar Surface Area:	40.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7