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4-Chloro-3-cresol

CAT: 1442-1031240 500Size: 500 mgDry Ice: NoHazardous: No
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CAT#:1442-1031240 500Size:500 mg
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CAS Number
59-50-7
Molecular Formula
4- (Cl) -3- (CH3) C6H3OH
Molecular Weight
142.58
HSN Code
38089990

Chemical Information

4-Chloro-3-methylphenol

4-chloro-m-cresol is a hydroxytoluene that is 3-methylphenol which is substituted by a chlorine at position 4. A ryanodine receptor agonist. It has a role as an antimicrobial agent, a disinfectant and a ryanodine receptor agonist. It is a hydroxytoluene and a member of monochlorobenzenes.

CAS Number59-50-7
PubChem CID1732
IUPAC Name4-chloro-3-methylphenol
Molecular FormulaC7H7ClO
Molecular Weight142.58
XLogP3.1
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity94
SMILES
CC1=C(C=CC(=C1)O)Cl
InChI
InChI=1S/C7H7ClO/c1-5-4-6(9)2-3-7(5)8/h2-4,9H,1H3
InChIKey
CFKMVGJGLGKFKI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Chloro-3-methylphenol
CAS: 59-50-7
CID: 1732
Formula: C7H7ClO
MW: 142.58
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight142.58
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass142.0185425
Monoisotopic Mass142.0185425
Topological Polar Surface Area20.2 Ų
Heavy Atom Count9
Formal Charge0
Complexity94.9
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