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3,5-Dichloroacenaphthene

CAT: 0572-TRC-D431570-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D431570-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
27608-78-2
Synonyms
3,5-Dichloro-1,2-dihydroacenaphthylene
Hazard Statement
No Data Available
Smiles
Clc1cc(Cl)c2cccc3CCc1c23
Molecular Formula
C12H8Cl2
Molecular Weight
223.1
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

3,5-Dichloro-1,2-dihydroacenaphthylene
CAS Number27608-78-2
PubChem CID53439545
IUPAC Name3,5-dichloro-1,2-dihydroacenaphthylene
Molecular FormulaC12H8Cl2
Molecular Weight223.09
XLogP4.7
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count14
Formal Charge0
Complexity228
SMILES
C1CC2=C(C=C(C3=CC=CC1=C23)Cl)Cl
InChI
InChI=1S/C12H8Cl2/c13-10-6-11(14)9-5-4-7-2-1-3-8(10)12(7)9/h1-3,6H,4-5H2
InChIKey
JCKOBQQABHVKOP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,5-Dichloro-1,2-dihydroacenaphthylene
CAS: 27608-78-2
CID: 53439545
Formula: C12H8Cl2
MW: 223.09
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight223.09
XLogP34.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass222.0003056
Monoisotopic Mass222.0003056
Topological Polar Surface Area0 Ų
Heavy Atom Count14
Formal Charge0
Complexity228
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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