4-Formyl-1H-pyrrole-2-carbonitrile - CAS 66832-11-9

Catalog:	BB033110
Product Name:	4-Formyl-1H-pyrrole-2-carbonitrile
CAS:	66832-11-9
Synonyms:	4-formyl-1H-pyrrole-2-carbonitrile

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Computed Properties

IUPAC Name:	4-formyl-1H-pyrrole-2-carbonitrile
Description:	4-Formyl-1H-pyrrole-2-carbonitrile (CAS# 66832-11-9) is a useful research chemical.
Molecular Weight:	120.11
Molecular Formula:	C6H4N2O
Canonical SMILES:	C1=C(NC=C1C=O)C#N
InChI:	InChI=1S/C6H4N2O/c7-2-6-1-5(4-9)3-8-6/h1,3-4,8H
InChI Key:	ALCKOBMBDNOFLG-UHFFFAOYSA-N
LogP:	0.69888

Publication Number	Title	Priority Date
EP-2558577-A1	Bi-functional complexes and methods for making and using such complexes	20100416
US-2013281324-A1	Bi-functinal complexes and methods for making and using such complexes	20100416
WO-2011127933-A1	Bi-functional complexes and methods for making and using such complexes	20100416
EP-0176387-A1	Pyrrole derivatives, process for their preparation and their application as pesticides	19840814
HU-194823-B	Insecticides and acarycides containing as active substance pirrol-derivatives and process for production of the active substance	19840814

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[22106-33-8]
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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	158
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	120.032362755
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	120.032362755
Rotatable Bond Count:	1
Topological Polar Surface Area:	56.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2