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2,4-Dichloro-3-nitroquinoline

CAT: 0572-TRC-D439308-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D439308-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
132521-66-5
Hazard Statement
Harmful if swallowed.
Purity
>95% (HPLC)
Smiles
[O-][N+](=O)c1c(Cl)nc2ccccc2c1Cl
Molecular Formula
C9H4Cl2N2O2
Molecular Weight
243.05
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

2,4-Dichloro-3-nitroquinoline
CAS Number132521-66-5
PubChem CID2785138
IUPAC Name2,4-dichloro-3-nitroquinoline
Molecular FormulaC9H4Cl2N2O2
Molecular Weight243.04
XLogP3.6
Topological Polar Surface Area58.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count15
Formal Charge0
Complexity259
SMILES
C1=CC=C2C(=C1)C(=C(C(=N2)Cl)[N+](=O)[O-])Cl
InChI
InChI=1S/C9H4Cl2N2O2/c10-7-5-3-1-2-4-6(5)12-9(11)8(7)13(14)15/h1-4H
InChIKey
RSFJVCHKGRUCIC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,4-Dichloro-3-nitroquinoline
CAS: 132521-66-5
CID: 2785138
Formula: C9H4Cl2N2O2
MW: 243.04
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight243.04
XLogP33.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass241.9649828
Monoisotopic Mass241.9649828
Topological Polar Surface Area58.7 Ų
Heavy Atom Count15
Formal Charge0
Complexity259
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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