3-(2-Chlorophenyl)-2-hydroxypropionic Acid - CAS 133373-31-6

Name: 3-(2-Chlorophenyl)-2-hydroxypropionic Acid
Brand: BOC Sciences
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Catalog:	BB007741
Product Name:	3-(2-Chlorophenyl)-2-hydroxypropionic Acid
CAS:	133373-31-6
Synonyms:	3-(2-chlorophenyl)-2-hydroxypropanoic acid; 3-(2-chlorophenyl)-2-hydroxypropanoic acid

Technical Data

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Patents

Computed Properties

IUPAC Name:	3-(2-chlorophenyl)-2-hydroxypropanoic acid
Description:	3-(2-Chlorophenyl)-2-hydroxypropionic Acid (CAS# 133373-31-6) is a useful research chemical.
Molecular Weight:	200.62
Molecular Formula:	C9H9ClO3
Canonical SMILES:	C1=CC=C(C(=C1)CC(C(=O)O)O)Cl
InChI:	InChI=1S/C9H9ClO3/c10-7-4-2-1-3-6(7)5-8(11)9(12)13/h1-4,8,11H,5H2,(H,12,13)
InChI Key:	VKBJHUQUYGMTJL-UHFFFAOYSA-N
LogP:	1.32800

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[1431966-64-1]C10H17ClN2O2S
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
AU-2014369053-A1	Substituted amino triazoles, and methods using same	20131220
AU-2014369053-B2	Substituted amino triazoles, and methods using same	20131220
EP-3082805-A1	Substituted amino triazoles, and methods using same	20131220
EP-3082805-B1	Substituted amino triazoles, and methods using same	20131220
JP-2017501226-A	Substituted aminotriazoles and methods of using the same	20131220

Complexity:	184
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	200.0240218
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	200.0240218
Rotatable Bond Count:	3
Topological Polar Surface Area:	57.5 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8