4-Chloro-2-hydroxy-5-methylbenzoic Acid - CAS 872267-79-3

Catalog:	BB038342
Product Name:	4-Chloro-2-hydroxy-5-methylbenzoic Acid
CAS:	872267-79-3
Synonyms:	4-chloro-2-hydroxy-5-methylbenzoic acid; 4-chloro-2-hydroxy-5-methylbenzoic acid

Technical Data

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Computed Properties

IUPAC Name:	4-chloro-2-hydroxy-5-methylbenzoic acid
Description:	4-Chloro-2-hydroxy-5-methylbenzoic Acid (CAS# 872267-79-3 ) is a useful research chemical.
Molecular Weight:	186.59
Molecular Formula:	C8H7ClO3
Canonical SMILES:	CC1=C(C=C(C(=C1)C(=O)O)O)Cl
InChI:	InChI=1S/C8H7ClO3/c1-4-2-5(8(11)12)7(10)3-6(4)9/h2-3,10H,1H3,(H,11,12)
InChI Key:	KMYFAUXQTBBMQU-UHFFFAOYSA-N

Publication Number	Title	Priority Date
EP-1295877-A1	Xanthone derivatives, preparation processes thereof, their use as fungicides and compositions containing them	20010921
JP-2003201289-A	Xanthone derivatives, methods for their preparation and their use for controlling harmful fungi, and compositions containing the derivatives	20010921
US-6576595-B1	Xanthone derivatives, processes for their preparation and their use for controlling harmful fungi, and compositions comprising these derivatives	20010921

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Complexity:	183
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	186.0083718
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	186.0083718
Rotatable Bond Count:	1
Topological Polar Surface Area:	57.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6