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3,5-Dichloro-4-hydroxybenzoic acid

CAT: 0926-FD36819-01Size: 50 gDry Ice: NoHazardous: No
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CAT#:0926-FD36819-01Size:50 g
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CAS Number
3336-41-2
MDL Number
MFCD00002550
Smiles
C1=C (C=C (C (=C1Cl) O) Cl) C (=O) O
Molecular Formula
C7H4Cl2O3
Molecular Weight
207.01 g/mol
Controlled
No

Chemical Information

3,5-Dichloro-4-hydroxybenzoic acid

3,5-dichloro-4-hydroxybenzoic acid is a derivative of p-salicylic acid with chloro- substituents at C-3 and C-5 of the benzene ring. It is a dichlorobenzene and a monohydroxybenzoic acid. It is functionally related to a benzoic acid and a 4-hydroxybenzoic acid. It is a conjugate acid of a 3,5-dichloro-4-hydroxybenzoate.

CAS Number3336-41-2
PubChem CID18749
IUPAC Name3,5-dichloro-4-hydroxybenzoic acid
Molecular FormulaC7H4Cl2O3
Molecular Weight207.01
XLogP2.6
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity173
SMILES
C1=C(C=C(C(=C1Cl)O)Cl)C(=O)O
InChI
InChI=1S/C7H4Cl2O3/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,10H,(H,11,12)
InChIKey
AULKDLUOQCUNOK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,5-Dichloro-4-hydroxybenzoic acid
CAS: 3336-41-2
CID: 18749
Formula: C7H4Cl2O3
MW: 207.01
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight207.01
XLogP32.6
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
Complexity173
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