4-(4-Chlorophenyl)butyric Acid - CAS 4619-18-5

Catalog:	BB026094
Product Name:	4-(4-Chlorophenyl)butyric Acid
CAS:	4619-18-5
Synonyms:	4-(4-chlorophenyl)butanoic acid; 4-(4-chlorophenyl)butanoic acid

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Computed Properties

IUPAC Name:	4-(4-chlorophenyl)butanoic acid
Description:	4-(4-Chlorophenyl)butyric Acid (CAS# 4619-18-5) is a useful research chemical.
Molecular Weight:	198.65
Molecular Formula:	C10H11ClO2
Canonical SMILES:	C1=CC(=CC=C1CCCC(=O)O)Cl
InChI:	InChI=1S/C10H11ClO2/c11-9-6-4-8(5-7-9)2-1-3-10(12)13/h4-7H,1-3H2,(H,12,13)
InChI Key:	YJMDORBRISAZSC-UHFFFAOYSA-N
Boiling Point:	323 ℃ at 760 mmHg
Density:	1.227 g/cm³
LogP:	2.74730

Publication Number	Title	Priority Date
CN-112062691-A	Citral phenylbutyrate oxime ester compound and synthesis method and application thereof	20200618
CN-113214107-A	Aromatic compound, preparation method and application in medicine	20200511
WO-2021067313-A1	Eukaryotic semi-synthetic organisms	20190930
WO-2020252598-A1	Radiolabeled compounds targeting the prostate-specific membrane antigen	20190621
WO-2020210919-A1	Novel radiolabelled cxcr4-targeting compounds for diagnosis and therapy	20190418

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, and P501
Signal Word:	Danger

Complexity:	162
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	198.0447573
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	198.0447573
Rotatable Bond Count:	4
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3