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3-Chloroacenaphthene

CAT: 0572-TRC-C353400-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C353400-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
5573-31-9
Synonyms
3-Chloro-1,2-dihydroacenaphthylene
Hazard Statement
No Data Available
Smiles
Clc1ccc2cccc3CCc1c23
Molecular Formula
C12H9Cl
Molecular Weight
188.65
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Acenaphthylene, 3-chloro-1,2-dihydro-
CAS Number5573-31-9
PubChem CID145799
IUPAC Name3-chloro-1,2-dihydroacenaphthylene
Molecular FormulaC12H9Cl
Molecular Weight188.65
XLogP4.1
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count13
Formal Charge0
Complexity201
SMILES
C1CC2=C(C=CC3=C2C1=CC=C3)Cl
InChI
InChI=1S/C12H9Cl/c13-11-7-5-9-3-1-2-8-4-6-10(11)12(8)9/h1-3,5,7H,4,6H2
InChIKey
ACBQLXLMWUXKHR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Acenaphthylene, 3-chloro-1,2-dihydro-
CAS: 5573-31-9
CID: 145799
Formula: C12H9Cl
MW: 188.65
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight188.65
XLogP34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass188.0392780
Monoisotopic Mass188.0392780
Topological Polar Surface Area0 Ų
Heavy Atom Count13
Formal Charge0
Complexity201
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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