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

CAT: 0127-OR1097593-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1097593-01Size:250 mg

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CAS Number

2229637-01-6

Purity

95%

Smiles

C (CC (=O) OC) (O) c1cc (cc (c1) Cl) Cl

Chemical Information

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

CAS Number	2229637-01-6
PubChem CID	19770351
IUPAC Name	methyl 3-(3,5-dichlorophenyl)-3-hydroxypropanoate
Molecular Formula	C10H10Cl2O3
Molecular Weight	249.09
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	15
Formal Charge	0
Complexity	213

SMILES

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

InChI

InChI=1S/C10H10Cl2O3/c1-15-10(14)5-9(13)6-2-7(11)4-8(12)3-6/h2-4,9,13H,5H2,1H3

InChIKey

TZQILJFORPNKIL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2229637-01-6

CID: 19770351

Formula: C10H10Cl2O3

MW: 249.09

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	249.09
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	248.0006996
Monoisotopic Mass	248.0006996
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	213
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
OR1068991-01	Methyl 3- (2,4-dichlorophenyl) -2-hydroxypropanoate
OR951565-01	Methyl 3-hydroxypropanoate
OR1081528-01	Ethyl 3- (2,3-dichlorophenyl) -3-hydroxypropanoate
PC1015428-01	Methyl 3- (3,5-difluorophenyl) -3-hydroxypropanoate
PC1015390-01	Methyl 3- (2,5-difluorophenyl) -3-hydroxypropanoate
OR1085792-01	Methyl 3-cyclohexyl-3-hydroxypropanoate
OR1047095-01	Methyl 3-cyclopropyl-3-hydroxypropanoate
PC1011348-01	Methyl 3- (3-fluorophenyl) -3-hydroxypropanoate
OR1093231-01	Methyl 3- (3-chlorophenyl) -3-hydroxypropanoate
OR1095977-01	Methyl 3- (2-bromo-5-methoxyphenyl) -3-hydroxypropanoate

Catalog	Name
EAC36579-01	Methyl 2- (3,4-dichlorophenyl) -3-hydroxypropanoate
T40698-01	Methyl 3-hydroxypropanoate
sc-344911	Methyl (3,5-dichlorophenyl) methylcarbamodithioate
KDA67712-01	Methyl 2-benzyl-3-hydroxypropanoate
IRB77774-01	Methyl 3-cyclohexyl-2-hydroxypropanoate
QAA05576-01	Methyl 3-cyano-2-hydroxypropanoate
HAA69128-01	Methyl 2-bromo-3-hydroxypropanoate
JH597610	Methyl 2-chloro-3-hydroxypropanoate
CCA77882-01	Methyl 2- (cyclohexylformamido) -3-hydroxypropanoate
RG-M050885-01	Methyl 2-Amino-3-Hydroxypropanoate