Methyl 2,6-dichloro-4-hydroxybenzoate

CAT: 0127-OR1061558-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1061558-01Size:100 mg

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CAS Number

232275-54-6

MDL Number

MFCD28786467

Purity

98%

Smiles

O=C(OC)C1=C(Cl)C=C(O)C=C1Cl

Chemical Information

Methyl 2,6-dichloro-4-hydroxybenzoate

CAS Number	232275-54-6
PubChem CID	54432677
IUPAC Name	methyl 2,6-dichloro-4-hydroxybenzoate
Molecular Formula	C8H6Cl2O3
Molecular Weight	221.03
XLogP	2.4
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	186

SMILES

COC(=O)C1=C(C=C(C=C1Cl)O)Cl

InChI

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

InChIKey

WIPJAIOYPDTJOY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 232275-54-6

CID: 54432677

Formula: C8H6Cl2O3

MW: 221.03

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	221.03
XLogP3	2.4
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	186
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
OR1099731	Methyl 3,6-dichloro-2-hydroxybenzoate
OR1082179-01	Methyl 2,4-dichloro-3-hydroxybenzoate
OR80282-01	Methyl 3,5-dichloro-4-hydroxybenzoate
PC909789-01	Methyl 2,6-difluoro-4-hydroxybenzoate
OR52077-01	Methyl 3,5-dichloro-2-hydroxybenzoate
PC201047-01	Methyl 4-bromo-2-fluoro-6-hydroxybenzoate
PC5092-01	Methyl 2-fluoro-6-hydroxybenzoate
OR1080478	Methyl 2,6-dichloro-4-iodobenzoate
OR1096429	Methyl 2,6-dichloro-4-methylbenzoate
OR81421-01	Methyl 2,6-dichloro-4-cyanobenzoate

Catalog	Name
455316-01	Methyl 3,5-dichloro-4-hydroxybenzoate
TRC-M296423-25MG	Methyl 4,6-Bisbenzyloxy-2-hydroxybenzoate
AL BF 0526-01	Methyl 2,4-difluoro-6-hydroxybenzoate
M15790-01	Methyl-3,5-dichloro-4-hydroxybenzoate hemihydrate
454956-01	Methyl 2-fluoro-6-hydroxybenzoate
YFC50437	Methyl 2,4-dichloro-6-fluorobenzoate
FD171232	2,4-Dichloro-6-methyl-Benzenesulfonylchloride
NQB64804	Methyl 2,6-dichloro-4-methylnicotinate
sc-267814	4,6-Dichloro-2-methyl-quinoline
RG-M052004-01	Methyl 4-Hydroxybenzoate