Ethyl 3- (3,5-dichlorophenyl) -3-hydroxypropanoate

CAT: 0926-ZZB38024-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-ZZB38024-01Size:50 mg

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CAS Number

1249380-24-2

MDL Number

MFCD16756879

Smiles

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

Molecular Formula

C11H12Cl2O3

Molecular Weight

263.11 g/mol

Controlled

Chemical Information

Ethyl 3-(3,5-dichlorophenyl)-3-hydroxypropanoate

CAS Number	1249380-24-2
PubChem CID	19770374
IUPAC Name	ethyl 3-(3,5-dichlorophenyl)-3-hydroxypropanoate
Molecular Formula	C11H12Cl2O3
Molecular Weight	263.11
XLogP	2.5
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	16
Formal Charge	0
Complexity	225

SMILES

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

InChI

InChI=1S/C11H12Cl2O3/c1-2-16-11(15)6-10(14)7-3-8(12)5-9(13)4-7/h3-5,10,14H,2,6H2,1H3

InChIKey

XBUGBVJVSFWXPF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1249380-24-2

CID: 19770374

Formula: C11H12Cl2O3

MW: 263.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	263.11
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	262.0163496
Monoisotopic Mass	262.0163496
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	225
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
FE122905-01	Ethyl 3-hydroxypropanoate
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SDA23423-01	Ethyl 3-bromo-2-hydroxypropanoate
XZB14972-01	Ethyl 3- (3,4-difluorophenyl) -3-hydroxypropanoate

Catalog	Name
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PC1009655-01	Ethyl 3- (2,5-difluorophenyl) -3-hydroxypropanoate
OR1097929-01	Ethyl 3- (3-chloro-5-methylphenyl) -3-hydroxypropanoate
PC1024803-01	Ethyl 3- (3-bromo-5-fluorophenyl) -3-hydroxypropanoate
PC1024806-01	Ethyl 3- (3-fluoro-5-methylphenyl) -3-hydroxypropanoate
OR1097821-01	Ethyl 3- (3-bromo-5-methylphenyl) -3-hydroxypropanoate
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