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3,6-Dichloro-2-hydroxybenzoic Acid

CAT: 0572-TRC-D438778-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D438778-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3401-80-7
Hazard Statement
Harmful if swallowed.
Purity
>95% (HPLC)
Smiles
OC(=O)c1c(O)c(Cl)ccc1Cl
Molecular Formula
C7 H4 Cl2 O3
Molecular Weight
207.01
InChI
InChI=1S/C7H4Cl2O3/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2,10H,(H,11,12)
Additionnal Information
IUPAC name: 3,6-dichloro-2-hydroxybenzoic acid
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

3,6-Dichlorosalicylic acid

structure; RN given refers to parent cpd

CAS Number3401-80-7
PubChem CID18844
IUPAC Name3,6-dichloro-2-hydroxybenzoic acid
Molecular FormulaC7H4Cl2O3
Molecular Weight207.01
XLogP2.4
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity185
SMILES
C1=CC(=C(C(=C1Cl)C(=O)O)O)Cl
InChI
InChI=1S/C7H4Cl2O3/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2,10H,(H,11,12)
InChIKey
FKIKPQHMWFZFEB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,6-Dichlorosalicylic acid
CAS: 3401-80-7
CID: 18844
Formula: C7H4Cl2O3
MW: 207.01
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight207.01
XLogP32.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass205.9537494
Monoisotopic Mass205.9537494
Topological Polar Surface Area57.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity185
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
RG-A260299-013,6-Dichloro-2-Hydroxybenzoic Acid
OR10858282,3-Dichloro-6-hydroxybenzoic acid
OR10924522,6-dichloro-3-hydroxybenzoic acid
HY-W104549S-013,6-Dichloro-2-hydroxybenzoic acid-13C6
BISC10143,6-Dichloro-2-hydroxybenzoic-[13C6] Acid
OR10988412,4-Dichloro-6-hydroxybenzoic acid
EAA64138-012,6-Dichloro-4-hydroxybenzoic acid
PC1021282-013,5-dichloro-2-fluoro-6-hydroxybenzoic acid
427562-013,6-Dichloro-2-hydroxybenzoic Acid Potassium Salt
sc-299169A3,6-Dichloro-2-hydroxybenzoic acid-ring-13C6

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