Methyl bromo(4-fluorophenyl)acetate - CAS 71783-54-5

Name: Methyl bromo(4-fluorophenyl)acetate
Brand: BOC Sciences
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Catalog:	BB059846
Product Name:	Methyl bromo(4-fluorophenyl)acetate
CAS:	71783-54-5
Synonyms:	methyl bromo(4-fluorophenyl)acetate; Methyl 2-bromo-2-(4-fluorophenyl)acetate; Bromo-(4-fluoro-phenyl)-acetic acid methyl ester

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	methyl 2-bromo-2-(4-fluorophenyl)acetate
Description:	Methyl bromo(4-fluorophenyl)acetate
Molecular Weight:	247.06
Molecular Formula:	C9H8BrFO2
Canonical SMILES:	COC(=O)C(C1=CC=C(C=C1)F)Br
InChI:	InChI=1S/C9H8BrFO2/c1-13-9(12)8(10)6-2-4-7(11)5-3-6/h2-5,8H,1H3
InChI Key:	ZDQQNZRQRARBNB-UHFFFAOYSA-N

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Related Functional Groups

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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

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WO-2021133749-A1	Substituted piperazine derivatives useful as t cell activators	20191223
US-10669272-B2	Substituted naphthyridinone compounds useful as T cell activators	20180627
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WO-2020006018-A1	Substituted naphthyridinone compounds useful as t cell activators	20180627
TW-202019924-A	Substituted naphthyridone compounds as T cell activators	20180627
AU-2019291794-A1	Substituted naphthyridinone compounds useful as T cell activators	20180627
CN-112654621-A	Substituted naphthyridinone compounds useful as T cell activators	20180627
EP-3814348-A1	Substituted naphthyridinone compounds useful as t cell activators	20180627
KR-20210024586-A	Substituted naphthyridinone compounds useful as T cell activators	20180627
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Complexity:	179
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	245.96917
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	245.96917
Rotatable Bond Count:	3
Topological Polar Surface Area:	26.3Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7