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5-Bromo-2,4-difluorotoluene

5-Bromo-2,4-difluorotoluene - CAS 159277-47-1

Catalog:	BB011514
Product Name:	5-Bromo-2,4-difluorotoluene
CAS:	159277-47-1
Synonyms:	1-bromo-2,4-difluoro-5-methylbenzene; 1-bromo-2,4-difluoro-5-methylbenzene

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Computed Properties

IUPAC Name:	1-bromo-2,4-difluoro-5-methylbenzene
Description:	5-Bromo-2,4-difluorotoluene (CAS# 159277-47-1) is a useful research chemical.
Molecular Weight:	207.02
Molecular Formula:	C7H5BrF2
Canonical SMILES:	CC1=CC(=C(C=C1F)F)Br
InChI:	InChI=1S/C7H5BrF2/c1-4-2-5(8)7(10)3-6(4)9/h2-3H,1H3
InChI Key:	WOCZKGUFVNUBEC-UHFFFAOYSA-N
Appearance:	Liquid
MDL:	MFCD15144620
LogP:	3.03570

Publication Number	Title	Priority Date
WO-2021005586-A1	Tricyclic akr1c3 dependent kars inhibitors	20190801
US-2020148634-A1	Acly inhibitors and uses thereof	20181109
WO-2020097408-A1	Acly inhibitors and uses thereof	20181109
US-2020172543-A1	Condensed lactam derivative	20180723
WO-2020022237-A1	Fused ring lactam derivatives	20180723

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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:	118
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	205.95427
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	205.95427
Rotatable Bond Count:	0
Topological Polar Surface Area:	0
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2