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2-Chloro-5-nitroquinoline

CAT: 0572-TRC-C374695-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C374695-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
13067-94-2
Synonyms
5-Nitro-2-chloroquinoline; NSC 261562
Hazard Statement
Causes skin irritation
Smiles
[O-][N+](=O)c1cccc2nc(Cl)ccc12
Molecular Formula
C9H5ClN2O2
Molecular Weight
208.6
Shipping Conditions
Room Temperature

Chemical Information

2-Chloro-5-nitroquinoline
CAS Number13067-94-2
PubChem CID319251
IUPAC Name2-chloro-5-nitroquinoline
Molecular FormulaC9H5ClN2O2
Molecular Weight208.60
XLogP2.8
Topological Polar Surface Area58.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count14
Formal Charge0
Complexity231
SMILES
C1=CC2=C(C=CC(=N2)Cl)C(=C1)[N+](=O)[O-]
InChI
InChI=1S/C9H5ClN2O2/c10-9-5-4-6-7(11-9)2-1-3-8(6)12(13)14/h1-5H
InChIKey
IICVTJMDHNPPOP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Chloro-5-nitroquinoline
CAS: 13067-94-2
CID: 319251
Formula: C9H5ClN2O2
MW: 208.60
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight208.60
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass208.0039551
Monoisotopic Mass208.0039551
Topological Polar Surface Area58.7 Ų
Heavy Atom Count14
Formal Charge0
Complexity231
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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