Methyl 2-Chloro-3-phenylpropionate - CAS 18841-64-0

Catalog:	BB014513
Product Name:	Methyl 2-Chloro-3-phenylpropionate
CAS:	18841-64-0
Synonyms:	2-chloro-3-phenylpropanoic acid methyl ester; methyl 2-chloro-3-phenylpropanoate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	methyl 2-chloro-3-phenylpropanoate
Description:	Methyl 2-Chloro-3-phenylpropionate (CAS# 18841-64-0) is a useful research chemical.
Molecular Weight:	198.65
Molecular Formula:	C10H11ClO2
Canonical SMILES:	COC(=O)C(CC1=CC=CC=C1)Cl
InChI:	InChI=1S/C10H11ClO2/c1-13-10(12)9(11)7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3
InChI Key:	DWKOUAHXOPJAHG-UHFFFAOYSA-N
LogP:	2.00950

Publication Number	Title	Priority Date
US-2010056491-A1	4'-amino cyclic compounds having 5-ht6 receptor affinity	20080829
WO-2010024980-A1	4'-amino cyclic compounds having 5-ht6 receptor affinity	20080829
US-2010056531-A1	Alkyl-substituted 3' compounds having 5-ht6 receptor affinity	20080822
WO-2010021797-A1	Condensed heterocyclic compounds having 5-ht6 receptor affinity	20080822
US-2010029629-A1	Acyclic compounds having 5-ht6 receptor affinity	20080725

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[55441-25-3]
1-(2-Cyanophenyl)urea
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester

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:	164
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	198.0447573
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	198.0447573
Rotatable Bond Count:	4
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7