4-Fluoro-3-formylbenzonitrile - CAS 146137-79-3

Catalog:	BB010043
Product Name:	4-Fluoro-3-formylbenzonitrile
CAS:	146137-79-3
Synonyms:	4-fluoro-3-formylbenzonitrile; 4-fluoro-3-formylbenzonitrile

Technical Data

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Computed Properties

IUPAC Name:	4-fluoro-3-formylbenzonitrile
Description:	4-Fluoro-3-formylbenzonitrile (CAS# 146137-79-3) is a useful research chemical.
Molecular Weight:	149.12
Molecular Formula:	C8H4FNO
Canonical SMILES:	C1=CC(=C(C=C1C#N)C=O)F
InChI:	InChI=1S/C8H4FNO/c9-8-2-1-6(4-10)3-7(8)5-11/h1-3,5H
InChI Key:	QVBHRCAJZGMNFX-UHFFFAOYSA-N
Boiling Point:	216.5 °C at 760 mmHg
Density:	1.25 g/cm³
MDL:	MFCD04974126
LogP:	1.50988

Publication Number	Title	Priority Date
CN-110709396-A	Novel compound inhibitors of the YAP/TAZ-TEAD interaction and their use in the treatment of malignant mesothelioma	20170406
AU-2018244211-A1	Piperidinyl- and piperazinyl-substituted heteroaromatic carboxamides as modulators of GPR6	20170326
CA-3054945-A1	Piperidinyl- and piperazinyl-substituted heteroaromatic carboxamides as modulators of gpr6	20170326
EP-3600312-A1	Piperidinyl- and piperazinyl-substituted heteroaromatic carboxamides as modulators of gpr6	20170326
JP-2020512401-A	Piperidinyl- and piperazinyl-substituted heteroaromatic carboxamides as modulators of GPR6	20170326

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	196
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	149.027691913
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	149.027691913
Rotatable Bond Count:	1
Topological Polar Surface Area:	40.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2