3-(3,5-Dichlorophenyl)propionic acid - CAS 95333-95-2

Name: 3-(3,5-Dichlorophenyl)propionic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB041690
Product Name:	3-(3,5-Dichlorophenyl)propionic acid
CAS:	95333-95-2
Synonyms:	3-(3,5-dichlorophenyl)propanoic acid

Technical Data

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Computed Properties

IUPAC Name:	3-(3,5-dichlorophenyl)propanoic acid
Description:	3-(3,5-Dichlorophenyl)propionic acid (CAS# 95333-95-2) is a useful research chemical.
Molecular Weight:	219.06
Molecular Formula:	C9H8Cl2O2
Canonical SMILES:	C1=C(C=C(C=C1Cl)Cl)CCC(=O)O
InChI:	InChI=1S/C9H8Cl2O2/c10-7-3-6(1-2-9(12)13)4-8(11)5-7/h3-5H,1-2H2,(H,12,13)
InChI Key:	GQICJNXGCGRFBA-UHFFFAOYSA-N
Boiling Point:	336.6 °C at 760 mmHg
Density:	1.392 g/cm³
MDL:	MFCD04037332
LogP:	3.01060

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[957292-12-5]C8H10N2O2
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
US-2020157088-A1	Benzene fused heterocyclic compound and use thereof	20171201
EP-3512839-A1	Yap1 inhibitors that target the interaction of yap1 with oct4	20160918
WO-2018053446-A1	Yap1 inhibitors that target the interaction of yap1 with oct4	20160918
US-10906874-B2	YAP1 inhibitors that target the interaction of YAP1 with OCT4	20160918
US-2021130297-A1	Yap1 inhibitors that target the interaction of yap1 with oct4	20160918

Complexity:	175
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	217.9901349
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	217.9901349
Rotatable Bond Count:	3
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9