2-(4-Bromophenyl)-2,2-difluoroacetic Acid - CAS 913574-93-3

Catalog:	BB040133
Product Name:	2-(4-Bromophenyl)-2,2-difluoroacetic Acid
CAS:	913574-93-3
Synonyms:	2-(4-bromophenyl)-2,2-difluoroacetic acid; 2-(4-bromophenyl)-2,2-difluoroacetic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-(4-bromophenyl)-2,2-difluoroacetic acid
Description:	2-(4-Bromophenyl)-2,2-difluoroacetic Acid (CAS# 913574-93-3) is a useful research chemical.
Molecular Weight:	251.02
Molecular Formula:	C8H5BrF2O2
Canonical SMILES:	C1=CC(=CC=C1C(C(=O)O)(F)F)Br
InChI:	InChI=1S/C8H5BrF2O2/c9-6-3-1-5(2-4-6)8(10,11)7(12)13/h1-4H,(H,12,13)
InChI Key:	ANGIHCJVNSDFOT-UHFFFAOYSA-N
MDL:	MFCD11167796
LogP:	2.62550

Publication Number	Title	Priority Date
WO-2021130492-A1	Carboxy derivatives with antiinflammatory properties	20191223
WO-2020241626-A1	Pyridinium salt and pest control agent	20190529
EP-3341357-A1	Novel carbocyclic compounds as ror gamma modulators	20150828
US-10189775-B2	Carbocyclic compounds as ROR gamma modulators	20150828
US-10336688-B2	Carbocyclic compounds as ROR gamma modulators	20150828

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	200
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	249.94410
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	249.94410
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8