Ethyl 3- (2,3-dichlorophenyl) -3-hydroxypropanoate

CAT: 0127-OR1081528-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1081528-01Size:250 mg

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CAS Number

1247712-48-6

MDL Number

MFCD16756861

Purity

97%

Smiles

C1 (cccc (c1Cl) C (CC (=O) OCC) O) Cl

Chemical Information

Ethyl 3-(2,3-dichlorophenyl)-3-hydroxypropanoate

CAS Number	1247712-48-6
PubChem CID	19770456
IUPAC Name	ethyl 3-(2,3-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	235

SMILES

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

InChI

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

InChIKey

XWKHDJVZZYTGMM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1247712-48-6

CID: 19770456

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	235
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
OR1013184-01	Ethyl 3-Hydroxypropanoate
OR1096926-01	Ethyl 3- (2-ethoxyphenyl) -3-hydroxypropanoate
OR1068991-01	Methyl 3- (2,4-dichlorophenyl) -2-hydroxypropanoate
OR1098465-01	Ethyl 3- (2-bromophenyl) -3-hydroxypropanoate
PC1025241-01	Ethyl 3- (2-fluorophenyl) -3-hydroxypropanoate
OR1037432-01	Ethyl 3-chloro-2-hydroxypropanoate
OR1033375-01	Ethyl 2-benzyl-3-hydroxypropanoate
OR1098464-01	Ethyl 3- (2-chlorophenyl) -3-hydroxypropanoate
PC1023520-01	Ethyl 3- (2,3-difluorophenyl) -3-hydroxypropanoate
OR1097593-01	Methyl 3- (3,5-dichlorophenyl) -3-hydroxypropanoate

Catalog	Name
ZZB38024-01	Ethyl 3- (3,5-dichlorophenyl) -3-hydroxypropanoate
449111-01	Ethyl 3-hydroxypropanoate
BAA99392-01	Ethyl 2-fluoro-3-hydroxypropanoate
MLC32913-01	Ethyl 3- (3-bromophenyl) -2-hydroxypropanoate
SDA23423-01	Ethyl 3-bromo-2-hydroxypropanoate
XCA71512-01	Ethyl 3-cyclopropyl-3-hydroxypropanoate
AAA38041-01	Ethyl 2,2-difluoro-3-hydroxypropanoate
BCA69941-01	Ethyl 3- (3-bromophenyl) -3-hydroxypropanoate
sc-263170	Ethyl 2-amino-3-hydroxypropanoate hydrochloride
AAC35714-01	Ethyl 2- (3,4-difluorophenyl) -2-hydroxypropanoate