1-(4-Nitrophenyl)cyclopropanecarbonitrile - CAS 408328-42-7

Catalog:	BB024678
Product Name:	1-(4-Nitrophenyl)cyclopropanecarbonitrile
CAS:	408328-42-7
Synonyms:	1-(4-nitrophenyl)-1-cyclopropanecarbonitrile; 1-(4-nitrophenyl)cyclopropane-1-carbonitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	1-(4-nitrophenyl)cyclopropane-1-carbonitrile
Description:	1-(4-Nitrophenyl)cyclopropanecarbonitrile (CAS# 408328-42-7 ) is a useful research chemical.
Molecular Weight:	188.18
Molecular Formula:	C10H8N2O2
Canonical SMILES:	C1CC1(C#N)C2=CC=C(C=C2)[N+](=O)[O-]
InChI:	InChI=1S/C10H8N2O2/c11-7-10(5-6-10)8-1-3-9(4-2-8)12(13)14/h1-4H,5-6H2
InChI Key:	YUHRZXOPOFLZEV-UHFFFAOYSA-N
MDL:	MFCD07374412
LogP:	2.67318

Publication Number	Title	Priority Date
EP-3811945-A1	Compounds for treating and preventing growth hormone receptor-dependent conditions	20191025
WO-2021078995-A1	Selective polypeptide synthesis stalling assay and compound	20191025
CA-2942871-A1	Ror-gamma modulators and uses thereof	20140327
EP-3122721-A1	Ror-gamma modulators and uses thereof	20140327
US-2018215707-A1	Ror-gamma modulators and uses thereof	20140327

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Complexity:	287
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	188.058577502
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	188.058577502
Rotatable Bond Count:	1
Topological Polar Surface Area:	69.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8