Methyl 3-chloro-2-hydroxybenzoate

CAT: 0127-OR400671-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR400671-01Size:250 mg

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CAS Number

52159-67-8

MDL Number

MFCD00128116

Purity

98%

Smiles

COC(=O)c1cccc(Cl)c1O

Chemical Information

Methyl 3-chlorosalicylate

CAS Number	52159-67-8
PubChem CID	104098
IUPAC Name	methyl 3-chloro-2-hydroxybenzoate
Molecular Formula	C8H7ClO3
Molecular Weight	186.59
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	12
Formal Charge	0
Complexity	172

SMILES

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

InChI

InChI=1S/C8H7ClO3/c1-12-8(11)5-3-2-4-6(9)7(5)10/h2-4,10H,1H3

InChIKey

MVXSDDGVZSEOIS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 52159-67-8

CID: 104098

Formula: C8H7ClO3

MW: 186.59

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	186.59
XLogP3	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	186.0083718
Monoisotopic Mass	186.0083718
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	172
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

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OR942749-01	Methyl 2-chloro-6-hydroxybenzoate
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OR907859-01	Methyl 4-chloro-3-hydroxybenzoate
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OR955921-01	Methyl 3-chloro-5-hydroxybenzoate

Catalog	Name
455209-01	Methyl 3-chloro-2-hydroxybenzoate
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454901-01	Methyl 2-chloro-5-hydroxybenzoate
455696-01	Methyl 5-chloro-2-hydroxybenzoate
AL BF 0717-01	Methyl 2-chloro-4-hydroxybenzoate
455217-01	Methyl 3-chloro-5-hydroxybenzoate
455213-01	Methyl 3-Chloro-4-hydroxybenzoate
EWB41533-01	Methyl 4-amino-3-chloro-2-hydroxybenzoate
M14303-01	Methyl-3-chloro-4-hydroxybenzoate 97%
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