3-Chloro-4-hydroxyphenylacetic acid
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3-Chloro-4-hydroxyphenylacetic acid
structure -
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CAS No:
33697-81-3
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Formula:
C8H7ClO3
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Chemical Name:
3-Chloro-4-hydroxyphenylacetic acid
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Synonyms:
Benzeneacetic acid,3-chloro-4-hydroxy-;Acetic acid,(3-chloro-4-hydroxyphenyl)-;3-Chloro-4-hydroxybenzeneacetic acid;3-Chloro-4-hydroxyphenylacetic acid;4-Hydroxy-3-chlorophenylacetic acid;2-(3-Chloro-4-hydroxyphenyl)acetic acid
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CAS No:
Description
Orange to tan powder
(3-chloro-4-hydroxyphenyl)acetic acid is a hydroxy monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is replaced by a 3-chloro-4-hydroxyphenyl group. It is a major chlorinated metabolite of chlorotyrosine. It has a role as a mammalian metabolite. It is a hydroxy monocarboxylic acid, a member of phenols and a member of monochlorobenzenes. It derives from an acetic acid.
3-Chloro-4-hydroxyphenylacetic acid Basic Attributes
186.59
186.59
251-643-0
DTXSID60187381
2918290000
Safety Information
NONH for all modes of transport
2
36/37/38
26-37/39-36
CY1576300
Xi
Irritant
P261-P305 + P351 + P338
H315-H319-H335
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 41 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:186.59
XLogP3:1.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:186.0083718
Monoisotopic Mass:186.0083718
Topological Polar Surface Area:57.5
Heavy Atom Count:12
Complexity:172
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3-Chloro-4-hydroxyphenylacetic acid
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