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2,3-Dichlorotoluene

CAT: 0572-TRC-D436820-5GSize: 5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D436820-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
32768-54-0
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
Cc1cccc(Cl)c1Cl
Molecular Formula
C7 H6 Cl2
Molecular Weight
161.03
InChI
InChI=1S/C7H6Cl2/c1-5-3-2-4-6(8)7(5)9/h2-4H,1H3
Additionnal Information
IUPAC name: 1,2-dichloro-3-methylbenzene
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Benzene, 1,2-dichloro-3-methyl-
CAS Number32768-54-0
PubChem CID34702
IUPAC Name1,2-dichloro-3-methylbenzene
Molecular FormulaC7H6Cl2
Molecular Weight161.03
XLogP3.5
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity92
SMILES
CC1=C(C(=CC=C1)Cl)Cl
InChI
InChI=1S/C7H6Cl2/c1-5-3-2-4-6(8)7(5)9/h2-4H,1H3
InChIKey
GWLKCPXYBLCEKC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzene, 1,2-dichloro-3-methyl-
CAS: 32768-54-0
CID: 34702
Formula: C7H6Cl2
MW: 161.03
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight161.03
XLogP33.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass159.9846556
Monoisotopic Mass159.9846556
Topological Polar Surface Area0 Ų
Heavy Atom Count9
Formal Charge0
Complexity92.9
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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