2-Chloro-6-fluoroquinoline-3-carboxaldehyde - CAS 749920-54-5

Catalog:	BB035212
Product Name:	2-Chloro-6-fluoroquinoline-3-carboxaldehyde
CAS:	749920-54-5
Synonyms:	2-chloro-6-fluoroquinoline-3-carbaldehyde

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-chloro-6-fluoroquinoline-3-carbaldehyde
Description:	2-Chloro-6-fluoroquinoline-3-carboxaldehyde (CAS# 749920-54-5) is a useful research chemical.
Molecular Weight:	209.60
Molecular Formula:	C10H5ClFNO
Canonical SMILES:	C1=CC2=NC(=C(C=C2C=C1F)C=O)Cl
InChI:	InChI=1S/C10H5ClFNO/c11-10-7(5-14)3-6-4-8(12)1-2-9(6)13-10/h1-5H
InChI Key:	AWXUFNXARKHKDY-UHFFFAOYSA-N
Boiling Point:	339.3 °C at 760 mmHg
Density:	1.449 g/cm³
LogP:	2.83980

Publication Number	Title	Priority Date
CN-113214182-A	Benzisothiazole compound and preparation method thereof	20210519
CN-112062760-A	NO donor quinoline derivative and preparation method and application thereof	20200903
US-2019308978-A1	Imidazopiperazinone inhibitors of transcription activating proteins	20180406
WO-2019195846-A1	Imidazopiperazinone inhibitors of transcription activating proteins	20180406
US-10899769-B2	Imidazopiperazinone inhibitors of transcription activating proteins	20180406

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501
Signal Word:	Warning

Complexity:	226
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	209.0043696
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	209.0043696
Rotatable Bond Count:	1
Topological Polar Surface Area:	30 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7