Ethyl (4-chlorophenyl) (hydroxy) acetate

CAT: 0127-OR111456Size: 1 EachDry Ice: NoHazardous: No

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CAS Number

13511-29-0

MDL Number

MFCD00068980

Purity

=95%

Smiles

CCOC(=O)C(O)c1ccc(Cl)cc1

Chemical Information

Ethyl (4-chlorophenyl)(hydroxy)acetate

CAS Number	13511-29-0
PubChem CID	12373588
IUPAC Name	ethyl 2-(4-chlorophenyl)-2-hydroxyacetate
Molecular Formula	C10H11ClO3
Molecular Weight	214.64
XLogP	2.2
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	14
Formal Charge	0
Complexity	188

SMILES

CCOC(=O)C(C1=CC=C(C=C1)Cl)O

InChI

InChI=1S/C10H11ClO3/c1-2-14-10(13)9(12)7-3-5-8(11)6-4-7/h3-6,9,12H,2H2,1H3

InChIKey

NMKKKUVPOGMEJL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 13511-29-0

CID: 12373588

Formula: C10H11ClO3

MW: 214.64

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	214.64
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	214.0396719
Monoisotopic Mass	214.0396719
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	188
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR111638	Ethyl (3-chlorophenyl) (hydroxy) acetate
OR111455-01	Methyl (4-chlorophenyl) (hydroxy) acetate
OR30031-01	Ethyl (4-chlorophenyl) (oxo) acetate
OR25094	Ethyl [ (4-chlorophenyl) sulphonyl]acetate
PC300965-01	Ethyl (4-fluorophenyl) (hydroxy) acetate
OR111454-01	Ethyl (4-bromophenyl) (hydroxy) acetate
OR25093	Ethyl 2-[ (4-chlorophenyl) thio]acetate
OR32537-01	Ethyl 2-[ (4-chlorophenyl) formamido]acetate
OR110951-01	Ethyl (4-hydroxy-3-nitrophenyl) acetate
OR1088130-01	Ethyl 4- (4-chlorophenyl) -4-hydroxy-1-piperidinecarboxylate

Catalog	Name
sc-482767	Ethyl (4-chlorophenyl) acetate
sc-269170	Ethyl hydroxy (4-hydroxyphenyl) acetate
sc-353334	Ethyl (4-chlorophenyl) (ethylamino) acetate hydrochloride
sc-263161A	Ethyl 2-[ (4-chlorophenyl) thio]acetate
sc-263160A	Ethyl 2-[ (4-chlorophenyl) sulphonyl]acetate
sc-263121	Ethyl (3-Chlorophenyl) acetate
275116-01	Ethyl (2'-hydroxy-4'-benzyloxybenzoyl) acetate
E8606-76-01	Ethyl (2’-Hydroxy-4’-benzyloxybenzoyl) acetate
MBS6073459-01	Ethyl (2'-Hydroxy-4'-benzyloxybenzoyl)acetate
TYB64288-01	Ethyl 2- (4-chlorophenyl) -2- (cyclopropylamino) acetate