2-(4-Bromophenyl)propionic Acid - CAS 53086-53-6

Catalog:	BB028045
Product Name:	2-(4-Bromophenyl)propionic Acid
CAS:	53086-53-6
Synonyms:	2-(4-bromophenyl)propanoic acid; 2-(4-bromophenyl)propanoic acid

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Computed Properties

IUPAC Name:	2-(4-bromophenyl)propanoic acid
Description:	2-(4-Bromophenyl)propionic Acid (CAS# 53086-53-6) is a useful research chemical.
Molecular Weight:	229.07
Molecular Formula:	C9H9BrO2
Canonical SMILES:	CC(C1=CC=C(C=C1)Br)C(=O)O
InChI:	InChI=1S/C9H9BrO2/c1-6(9(11)12)7-2-4-8(10)5-3-7/h2-6H,1H3,(H,11,12)
InChI Key:	PFDBEACWLCHWRZ-UHFFFAOYSA-N
LogP:	2.63720

Publication Number	Title	Priority Date
CN-112029743-A	Bio-enzyme catalytic synthesis method of 6-bromoindanone	20200915
WO-2020202001-A1	Substituted 5-cyclopropyl-1h-pyrazol-3-yl-amine derivatives as selective cdk12/13 inhibitors	20190401
WO-2020160711-A1	Imidazo [2, 1-f] [1, 2, 4] triazin-4-amine derivatives as tlr7 agonist	20190207
WO-2020003119-A1	Compounds and methods for treatment of hedgehog pathway associated conditions	20180625
AU-2019294083-A1	Compounds and methods for treatment of hedgehog pathway associated conditions	20180625

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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
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid

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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, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	162
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	227.97859
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	227.97859
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6