4-Bromo-3-fluorophenylacetic Acid - CAS 942282-40-8

Name: 4-Bromo-3-fluorophenylacetic Acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB041242
Product Name:	4-Bromo-3-fluorophenylacetic Acid
CAS:	942282-40-8
Synonyms:	2-(4-bromo-3-fluorophenyl)acetic acid; 2-(4-bromo-3-fluorophenyl)acetic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-(4-bromo-3-fluorophenyl)acetic acid
Description:	4-Bromo-3-fluorophenylacetic Acid (CAS# 942282-40-8) is a useful research chemical.
Molecular Weight:	233.03
Molecular Formula:	C8H6BrFO2
Canonical SMILES:	C1=CC(=C(C=C1CC(=O)O)F)Br
InChI:	InChI=1S/C8H6BrFO2/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3H,4H2,(H,11,12)
InChI Key:	PSICSVFGBAGWMZ-UHFFFAOYSA-N
Boiling Point:	317.9 °C at 760 mmHg
Density:	1.697 g/cm³
MDL:	MFCD12756200
LogP:	2.21530

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Related Functional Groups

Carbonyl Compounds

[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[17746-05-3]C11H21ClO
Undecanoyl chloride
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[438616-66-1]C14H20N2O
2-(4-Tert-Butylphenyl)cyclopropanecarbohydrazide

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

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WO-2021127586-A1	Protein tyrosine phosphatase degraders and methods of use thereof	20191220
WO-2021125229-A1	Indazole compound or salt thereof, and pharmaceutical composition	20191217
WO-2021081207-A1	Glp-1r modulating compounds	20191025
US-2021171499-A1	Glp-1r modulating compounds	20191025
WO-2021026098-A1	Kif18a inhibitors	20190802

Complexity:	174
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	231.95352
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	231.95352
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2