3'-Bromo-5'-fluoroacetophenone - CAS 105515-20-6

Catalog:	BB001659
Product Name:	3'-Bromo-5'-fluoroacetophenone
CAS:	105515-20-6
Synonyms:	1-(3-bromo-5-fluorophenyl)ethanone; 1-(3-bromo-5-fluorophenyl)ethanone

Technical Data

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Patents

Computed Properties

IUPAC Name:	1-(3-bromo-5-fluorophenyl)ethanone
Description:	3'-Bromo-5'-fluoroacetophenone (CAS# 105515-20-6) is a useful research chemical.
Molecular Weight:	217.04
Molecular Formula:	C8H6BrFO
Canonical SMILES:	CC(=O)C1=CC(=CC(=C1)Br)F
InChI:	InChI=1S/C8H6BrFO/c1-5(11)6-2-7(9)4-8(10)3-6/h2-4H,1H3
InChI Key:	MZDXPUDHZBCYGS-UHFFFAOYSA-N
LogP:	2.79080

Publication Number	Title	Priority Date
US-2020399264-A1	4-substituted-2-thiazole amides as antiviral agents	20190620
TW-201944993-A	CBL-B inhibitor and use method thereof	20180126
WO-2019148005-A1	Inhibitors of cbl-b and methods of use thereof	20180126
EP-3743063-A1	Inhibitors of cbl-b and methods of use thereof	20180126
BR-112019012515-A2	integrin antagonists	20161229

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	160
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	215.95861
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	215.95861
Rotatable Bond Count:	1
Topological Polar Surface Area:	17.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4