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3,5-Dichloroanisole

CAT: 0572-TRC-D431835-10GSize: 10 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D431835-10GSize:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
33719-74-3
Hazard Statement
No Data Available
Smiles
COc1cc(Cl)cc(Cl)c1
Molecular Formula
C7 H6 Cl2 O
Molecular Weight
177.03
InChI
InChI=1S/C7H6Cl2O/c1-10-7-3-5(8)2-6(9)4-7/h2-4H,1H3
Additionnal Information
IUPAC name: 1,3-dichloro-5-methoxybenzene
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

3,5-Dichloroanisole
CAS Number33719-74-3
PubChem CID36588
IUPAC Name1,3-dichloro-5-methoxybenzene
Molecular FormulaC7H6Cl2O
Molecular Weight177.02
XLogP3.8
Topological Polar Surface Area9.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity97
SMILES
COC1=CC(=CC(=C1)Cl)Cl
InChI
InChI=1S/C7H6Cl2O/c1-10-7-3-5(8)2-6(9)4-7/h2-4H,1H3
InChIKey
SSNXYMVLSOMJLU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,5-Dichloroanisole
CAS: 33719-74-3
CID: 36588
Formula: C7H6Cl2O
MW: 177.02
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight177.02
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass175.9795702
Monoisotopic Mass175.9795702
Topological Polar Surface Area9.2 Ų
Heavy Atom Count10
Formal Charge0
Complexity97.8
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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