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2-Chloroanthracene

CAT: 0572-TRC-C364390-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C364390-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
17135-78-3
Synonyms
NSC 408454
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
Clc1ccc2cc3ccccc3cc2c1
Molecular Formula
C14H9Cl
Molecular Weight
212.67
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2-Chloroanthracene
CAS Number17135-78-3
PubChem CID28308
IUPAC Name2-chloroanthracene
Molecular FormulaC14H9Cl
Molecular Weight212.67
XLogP5.4
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count15
Formal Charge0
Complexity225
SMILES
C1=CC=C2C=C3C=C(C=CC3=CC2=C1)Cl
InChI
InChI=1S/C14H9Cl/c15-14-6-5-12-7-10-3-1-2-4-11(10)8-13(12)9-14/h1-9H
InChIKey
OWFINXQLBMJDJQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Chloroanthracene
CAS: 17135-78-3
CID: 28308
Formula: C14H9Cl
MW: 212.67
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight212.67
XLogP35.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass212.0392780
Monoisotopic Mass212.0392780
Topological Polar Surface Area0 Ų
Heavy Atom Count15
Formal Charge0
Complexity225
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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