Methyl 3,6-dichloro-2-hydroxybenzoate

CAT: 0127-OR1099731Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR1099731Size:1 g

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CAS Number

53066-25-4

MDL Number

MFCD28786469

Purity

97%

Smiles

C1 (c (ccc (c1C (=O) OC) Cl) Cl) O

Chemical Information

Methyl 3,6-dichloro-2-hydroxybenzoate

CAS Number	53066-25-4
PubChem CID	15278470
IUPAC Name	methyl 3,6-dichloro-2-hydroxybenzoate
Molecular Formula	C8H6Cl2O3
Molecular Weight	221.03
XLogP	3
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	13
Formal Charge	0
Complexity	198

SMILES

COC(=O)C1=C(C=CC(=C1O)Cl)Cl

InChI

InChI=1S/C8H6Cl2O3/c1-13-8(12)6-4(9)2-3-5(10)7(6)11/h2-3,11H,1H3

InChIKey

RWVAEQFJDGZLEO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 53066-25-4

CID: 15278470

Formula: C8H6Cl2O3

MW: 221.03

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	221.03
XLogP3	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	219.9693994
Monoisotopic Mass	219.9693994
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	198
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1061558-01	Methyl 2,6-dichloro-4-hydroxybenzoate
OR1082179-01	Methyl 2,4-dichloro-3-hydroxybenzoate
OR52077-01	Methyl 3,5-dichloro-2-hydroxybenzoate
OR80282-01	Methyl 3,5-dichloro-4-hydroxybenzoate
PC901603	Methyl 2,6-difluoro-3-hydroxybenzoate
PC907140	Methyl 3,6-difluoro-2-hydroxybenzoate
PC5092-01	Methyl 2-fluoro-6-hydroxybenzoate
OR400061-01	Methyl 2-bromo-6-hydroxybenzoate
OR942749-01	Methyl 2-chloro-6-hydroxybenzoate
OR1044778-01	Methyl 2- (benzyloxy) -6-hydroxybenzoate

Catalog	Name
455316-01	Methyl 3,5-dichloro-4-hydroxybenzoate
455033-01	Methyl 2,6-difluoro-3-hydroxybenzoate
M15790-01	Methyl-3,5-dichloro-4-hydroxybenzoate hemihydrate
454956-01	Methyl 2-fluoro-6-hydroxybenzoate
sc-353813A	Methyl 2,3,5-trichloro-6-hydroxybenzoate
CHC37340-01	Methyl 6-fluoro-2-formyl-3-hydroxybenzoate
AFA84996-01	Methyl 2,6-dichloro-3-methylisonicotinate
sc-328410	Methyl 2,3-dichloro-6-quinoxalinecarboxylate
TRC-M296423-25MG	Methyl 4,6-Bisbenzyloxy-2-hydroxybenzoate
AL BF 0526-01	Methyl 2,4-difluoro-6-hydroxybenzoate