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1-Bromo-4-chloro-2-fluoro-5-methylbenzene

1-Bromo-4-chloro-2-fluoro-5-methylbenzene - CAS 200190-87-0

Catalog:	BB015452
Product Name:	1-Bromo-4-chloro-2-fluoro-5-methylbenzene
CAS:	200190-87-0
Synonyms:	1-bromo-4-chloro-2-fluoro-5-methylbenzene; 1-bromo-4-chloro-2-fluoro-5-methylbenzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-bromo-4-chloro-2-fluoro-5-methylbenzene
Description:	1-Bromo-4-chloro-2-fluoro-5-methylbenzene (CAS# 200190-87-0) is a useful research chemical.
Molecular Weight:	223.47
Molecular Formula:	C7H5BrClF
Canonical SMILES:	CC1=CC(=C(C=C1Cl)F)Br
InChI:	InChI=1S/C7H5BrClF/c1-4-2-5(8)7(10)3-6(4)9/h2-3H,1H3
InChI Key:	FHMGARFZRFRQNI-UHFFFAOYSA-N
Appearance:	Liquid
LogP:	3.55000

Publication Number	Title	Priority Date
CN-112300132-A	Aryl quinazoline DNA-PK inhibitor	20190730
CN-111909144-A	Quinazoline DNA-PK inhibitor	20190510
EP-3468955-A1	5-[3-[piperazin-1-yl]-3-oxo-propyl]-imidazolidine-2,4-dione derivatives as adamts 4 and 5 inhibitors for treating e.g. osteoarthritis	20160609
EP-3468961-A1	5-[3-[piperidin-1-yl]-3-oxo-propyl]-imidazolidine-2,4-dione derivatives as adamts 4 and 5 inhibitors for treating e.g. osteoarthritis	20160609
EP-3468961-B1	5-[3-[piperidin-1-yl]-3-oxo-propyl]-imidazolidine-2,4-dione derivatives as adamts 4 and 5 inhibitors for treating e.g. osteoarthritis	20160609

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P317, P330, and P501
Signal Word:	Warning

Complexity:	120
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	221.92472
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	221.92472
Rotatable Bond Count:	0
Topological Polar Surface Area:	0
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.7