Methyl 3,5-dichloro-4-hydroxybenzoate

CAT: 0926-FM70161-01Size: 10 gDry Ice: NoHazardous: No

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CAT#:0926-FM70161-01Size:10 g

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CAS Number

3337-59-5

MDL Number

MFCD00016419

Smiles

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

Molecular Formula

C8H6Cl2O3

Molecular Weight

221.04 g/mol

Controlled

Chemical Information

Methyl 3,5-dichloro-4-hydroxybenzoate

Methyl 3,5-dichloro-4-hydroxybenzoate is a 4-hydroxybenzoate ester.

CAS Number	3337-59-5
PubChem CID	76856
IUPAC Name	methyl 3,5-dichloro-4-hydroxybenzoate
Molecular Formula	C8H6Cl2O3
Molecular Weight	221.03
XLogP	2.8
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=CC(=C(C(=C1)Cl)O)Cl

InChI

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

InChIKey

UKMOOQFHBGTLAO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3337-59-5

CID: 76856

Formula: C8H6Cl2O3

MW: 221.03

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	221.03
XLogP3	2.8
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
FE71260-01	Ethyl 3,5-dichloro-4-hydroxybenzoate
FP67839-01	Propyl 3,5-dichloro-4-hydroxybenzoate
FM70987-01	Methyl 3,5-dibromo-4-hydroxybenzoate
FM70956-01	Methyl 3,5-dinitro-4-hydroxybenzoate
FM03053-01	Methyl 4,5-dimethoxy-3-hydroxybenzoate
KGA75384-01	Methyl 3-Acetyl-5-bromo-4-hydroxybenzoate
GDB82079-01	Methyl 3-bromo-5-formyl-4-hydroxybenzoate
SCA97380	Methyl 3-amino-5-hydroxybenzoate
FM138034-01	Methyl 3-bromo-5-hydroxybenzoate
FM69806-01	Methyl 3,5-dichloro-4-methoxybenzoate

Catalog	Name
455316-01	Methyl 3,5-dichloro-4-hydroxybenzoate
M15790-01	Methyl-3,5-dichloro-4-hydroxybenzoate hemihydrate
OR52077-01	Methyl 3,5-dichloro-2-hydroxybenzoate
OR1082179-01	Methyl 2,4-dichloro-3-hydroxybenzoate
OR1061558-01	Methyl 2,6-dichloro-4-hydroxybenzoate
OR1099731	Methyl 3,6-dichloro-2-hydroxybenzoate
sc-358327	Methyl 3,5-dimethoxy-4-hydroxybenzoate
OR7292-01	Methyl 3,5-dibromo-4-hydroxybenzoate
OR1004008-01	Methyl 3,5-Dinitro-4-hydroxybenzoate
PC902120-01	Methyl 3,5-difluoro-4-hydroxybenzoate