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2,3,5-Trichlorotoluene

CAT: 0572-TRC-T353260-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-T353260-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
56961-86-5
Synonyms
1,2,5-Trichloro-3-methylbenzene
Hazard Statement
Harmful if swallowed; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
Cc1cc(Cl)cc(Cl)c1Cl
Molecular Formula
C7 H5 Cl3
Molecular Weight
195.474
InChI
InChI=1S/C7H5Cl3/c1-4-2-5(8)3-6(9)7(4)10/h2-3H,1H3
Additionnal Information
IUPAC name: 1,2,5-trichloro-3-methyl-benzene
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

1,2,5-Trichloro-3-methylbenzene
CAS Number56961-86-5
PubChem CID13751585
IUPAC Name1,2,5-trichloro-3-methylbenzene
Molecular FormulaC7H5Cl3
Molecular Weight195.5
XLogP4.2
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity115
SMILES
CC1=CC(=CC(=C1Cl)Cl)Cl
InChI
InChI=1S/C7H5Cl3/c1-4-2-5(8)3-6(9)7(4)10/h2-3H,1H3
InChIKey
OKLGPXYADUOPGA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,2,5-Trichloro-3-methylbenzene
CAS: 56961-86-5
CID: 13751585
Formula: C7H5Cl3
MW: 195.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight195.5
XLogP34.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass193.945683
Monoisotopic Mass193.945683
Topological Polar Surface Area0 Ų
Heavy Atom Count10
Formal Charge0
Complexity115
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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