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4-Chloro-2-methylphenol

CAT: 0572-TRC-C371030-25GSize: 25 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-C371030-25GSize:25 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1570-64-5
Hazard Statement
Harmful if swallowed; UN number: UN3437; Packing Group: II
Smiles
Cc1cc(Cl)ccc1O
Molecular Formula
C7 H7 Cl O
Molecular Weight
142.58
InChI
InChI=1S/C7H7ClO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,1H3
Additionnal Information
IUPAC name: 4-chloro-2-methylphenol
Shipping Conditions
Room Temperature

Chemical Information

4-Chloro-2-methylphenol

4-chloro-2-methylphenol is a member of the class of phenols that is o-cresol in which the hydrogen para to the hydroxy group is replaced by a chlorine. It is a member of phenols and a member of monochlorobenzenes. It is functionally related to an o-cresol.

CAS Number1570-64-5
PubChem CID14855
IUPAC Name4-chloro-2-methylphenol
Molecular FormulaC7H7ClO
Molecular Weight142.58
XLogP2.8
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)Cl)O
InChI
InChI=1S/C7H7ClO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,1H3
InChIKey
RHPUJHQBPORFGV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Chloro-2-methylphenol
CAS: 1570-64-5
CID: 14855
Formula: C7H7ClO
MW: 142.58
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight142.58
XLogP32.8
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

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