1-(4-Nitrophenyl)cyclopentanecarbonitrile - CAS 91392-33-5

Catalog:	BB040162
Product Name:	1-(4-Nitrophenyl)cyclopentanecarbonitrile
CAS:	91392-33-5
Synonyms:	1-(4-nitrophenyl)-1-cyclopentanecarbonitrile; 1-(4-nitrophenyl)cyclopentane-1-carbonitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	1-(4-nitrophenyl)cyclopentane-1-carbonitrile
Description:	1-(4-Nitrophenyl)cyclopentanecarbonitrile (CAS# 91392-33-5) is a building block used in various chemical synthesis.
Molecular Weight:	216.24
Molecular Formula:	C12H12N2O2
Canonical SMILES:	C1CCC(C1)(C#N)C2=CC=C(C=C2)[N+](=O)[O-]
InChI:	InChI=1S/C12H12N2O2/c13-9-12(7-1-2-8-12)10-3-5-11(6-4-10)14(15)16/h3-6H,1-2,7-8H2
InChI Key:	ANLABNUUYWRCRP-UHFFFAOYSA-N
Boiling Point:	392.8 °C at 760 mmHg
Density:	1.22 g/cm³
LogP:	3.45338

Publication Number	Title	Priority Date
CN-112441941-A	Preparation method of 1- (4-aminophenyl) cyclopentyl formonitrile	20201203
CN-111763156-A	Preparation method of apatinib intermediate	20200714
US-2020087331-A1	Chemoselective methylene hydroxylation in aromatic molecules	20180913
US-10961266-B2	Chemoselective methylene hydroxylation in aromatic molecules	20180913
US-2016090354-A1	Solid drug form of n-(2,6-bis(1-methylethyl)phenyl)-n'-((1-(4-(dimethylamino)phenyl)cyclopentyl)methyl)urea hydrochloride and compositions, methods and kits related thereto	20140926

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Related Functional Groups

Nitrogen Compounds

[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[13021-14-2]
2,4,6-Trimethyl-N-methylaniline
[1170836-29-9]
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile
[5724-76-5]
3-(2,5-Dioxopyrrolidin-1-yl)propionic acid

Complexity:	312
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	216.08987763
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	216.08987763
Rotatable Bond Count:	1
Topological Polar Surface Area:	69.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8