Methyl (3-chlorophenyl) (hydroxy) acetate

CAT: 0127-OR111637Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR111637Size:1 g

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CAS Number

13305-18-5

MDL Number

MFCD16693824

Purity

=95%

Smiles

COC(=O)C(O)c1cccc(Cl)c1

Chemical Information

Methyl 2-(3-chlorophenyl)-2-hydroxyacetate

CAS Number	13305-18-5
PubChem CID	14916085
IUPAC Name	methyl 2-(3-chlorophenyl)-2-hydroxyacetate
Molecular Formula	C9H9ClO3
Molecular Weight	200.62
XLogP	1.8
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	184

SMILES

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

InChI

InChI=1S/C9H9ClO3/c1-13-9(12)8(11)6-3-2-4-7(10)5-6/h2-5,8,11H,1H3

InChIKey

CPEZVACFWJSZNE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 13305-18-5

CID: 14916085

Formula: C9H9ClO3

MW: 200.62

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	200.62
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	200.0240218
Monoisotopic Mass	200.0240218
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	184
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
OR111455-01	Methyl (4-chlorophenyl) (hydroxy) acetate
OR111636	Methyl (2-chlorophenyl) (hydroxy) acetate
OR111638	Ethyl (3-chlorophenyl) (hydroxy) acetate
OR32624-01	(4-Chlorophenyl) methyl acetate
OR111456	Ethyl (4-chlorophenyl) (hydroxy) acetate
OR1069809-01	3-Chlorophenyl acetate
OR1039247-01	Hydroxy-PEG4-methyl acetate
OR111231	Methyl amino (2-chlorophenyl) acetate
OR9884-01	Methyl (4-hydroxy-3-nitrophenyl) acetate
OR93033-01	Methyl 2- (2-bromo-3-chlorophenyl) acetate

Catalog	Name
sc-328134	Methyl [1- (3-chlorophenyl) -5-hydroxy-1H-pyrazol-3-yl]acetate
GTR19222091-01	Hydroxy-PEG4-methyl acetate
WVB29248-01	Methyl 2-{[ (3-chlorophenyl) carbamoyl]amino}acetate
MFA42052-01	Methyl 2-bromo-2- (3-chlorophenyl) acetate
RDA08555-01	Methyl 2-chloro-2- (3-chlorophenyl) acetate
WGA42552-01	Methyl 2- (4-bromo-3-chlorophenyl) acetate
GTB79810-01	Methyl 2-hydroxy-2- (4-hydroxy-3-nitrophenyl) acetate
PZC14709	Methyl 2-hydroxy-2- (3-iodophenyl) acetate
ECA84540-01	Methyl 2-hydroxy-2- (3-methoxyphenyl) acetate
DEA32426-01	Methyl 2- (2-hydroxy-3-methoxyphenyl) acetate