3,5-Dichlorophenylacetic Acid - CAS 51719-65-4

Catalog:	BB027557
Product Name:	3,5-Dichlorophenylacetic Acid
CAS:	51719-65-4
Synonyms:	2-(3,5-dichlorophenyl)acetic acid; 2-(3,5-dichlorophenyl)acetic acid

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Computed Properties

IUPAC Name:	2-(3,5-dichlorophenyl)acetic acid
Description:	3,5-Dichlorophenylacetic Acid (CAS# 51719-65-4) is a reactant used for the preparation of adenain inhibitors as potential antivirals.
Molecular Weight:	205.04
Molecular Formula:	C8H6Cl2O2
Canonical SMILES:	C1=C(C=C(C=C1Cl)Cl)CC(=O)O
InChI:	InChI=1S/C8H6Cl2O2/c9-6-1-5(3-8(11)12)2-7(10)4-6/h1-2,4H,3H2,(H,11,12)
InChI Key:	RERINLRFXYGZEE-UHFFFAOYSA-N
Boiling Point:	325.2 °C at 760 mmHg
Density:	1.456 g/cm³
MDL:	MFCD01764671
LogP:	2.62050

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Related Functional Groups

Carbonyl Compounds

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[55441-25-3]
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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, 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:	203.9744848
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	203.9744848
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6