5-Bromo-2-fluoro-4-methoxybenzaldehyde - CAS 473417-48-0

Catalog:	BB055326
Product Name:	5-Bromo-2-fluoro-4-methoxybenzaldehyde
CAS:	473417-48-0
Synonyms:	5-BROMO-2-FLUORO-4-METHOXYBENZALDEHYDE; Benzaldehyde, 5-bromo-2-fluoro-4-methoxy-; 2-Fluoro-4-methoxy-5-bromobenzaldehyde

Technical Data

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Computed Properties

IUPAC Name:	5-bromo-2-fluoro-4-methoxybenzaldehyde
Description:	5-Bromo-2-fluoro-4-methoxybenzaldehyde
Molecular Weight:	233.03
Molecular Formula:	C8H6BrFO2
Canonical SMILES:	COC1=C(C=C(C(=C1)F)C=O)Br
InChI:	InChI=1S/C8H6BrFO2/c1-12-8-3-7(10)5(4-11)2-6(8)9/h2-4H,1H3
InChI Key:	MUHOGOFEMSTOPZ-UHFFFAOYSA-N

Publication Number	Title	Priority Date
WO-2020263967-A1	2h-indazole derivatives and their use in the treatment of disease	20190627
TW-202116735-A	2h-indazole derivatives and their use in the treatment of disease	20190627
AU-2020304036-A1	2H-indazole Derivatives and their use in the treatment of disease	20190627
WO-2021229571-A1	Imidazole 3-oxide derivative based acss2 inhibitors and methods of use thereof	20190514
CA-3051419-A1	Activators of the retinoic acid inducible gene "rig-i" pathway and methods of use thereof	20180817
US-2020055871-A1	Activators of the retinoic acid inducible gene "rig-i" pathway and methods of use thereof	20180817
WO-2020036574-A1	Activators of the retinoic acid inducible gene "rig-i' pathway and methods of use thereof	20180817
WO-2020036812-A1	Activators of the retinoic acid inducible gene "rig-i" pathway and methods of use thereof	20180817
TW-202035426-A	Activators of the retinoic acid inducible gene "rig-i" pathway and methods of use thereof	20180817
CA-3051422-A1	Activators of the retinoic acid inducible gene "rig-i" pathway and methods of use thereof	20180809

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	165
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	231.95352
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	231.95352
Rotatable Bond Count:	2
Topological Polar Surface Area:	26.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1