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2-Bromo-5-fluoro-1,3-dimethylbenzene

2-Bromo-5-fluoro-1,3-dimethylbenzene - CAS 14659-58-6

Catalog:	BB010102
Product Name:	2-Bromo-5-fluoro-1,3-dimethylbenzene
CAS:	14659-58-6
Synonyms:	2-bromo-5-fluoro-1,3-dimethylbenzene; 2-bromo-5-fluoro-1,3-dimethylbenzene

Technical Data

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Computed Properties

IUPAC Name:	2-bromo-5-fluoro-1,3-dimethylbenzene
Description:	2-Bromo-5-fluoro-1,3-dimethylbenzene (CAS# 14659-58-6) is a useful research chemical.
Molecular Weight:	203.05
Molecular Formula:	C8H8BrF
Canonical SMILES:	CC1=CC(=CC(=C1Br)C)F
InChI:	InChI=1S/C8H8BrF/c1-5-3-7(10)4-6(2)8(5)9/h3-4H,1-2H3
InChI Key:	SIZYXYRNXJSAON-UHFFFAOYSA-N
LogP:	3.20500

Publication Number	Title	Priority Date
US-2021002293-A1	Heterocyclic compounds as bet inhibitors	20190702
WO-2021003310-A1	Heterocyclic compounds as bet inhibitors	20190702
CN-111377908-A	Thermally activated delayed fluorescence compound and application thereof	20181227
US-2020140459-A1	Heterocyclic compounds as bet inhibitors	20181030
CN-113226322-A	Heterocyclic compounds as BET inhibitors	20181030

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Related Functional Groups

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; 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, 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:	104
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	201.97934
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	201.97934
Rotatable Bond Count:	0
Topological Polar Surface Area:	0
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.2