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2,4-Dichloro-6-nitroquinoline

CAT: 1596-AR-M02858-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-M02858-01Size:10 Units
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CAS Number
408523-59-1

Chemical Information

2,4-Dichloro-6-nitroquinoline
CAS Number408523-59-1
PubChem CID53422878
IUPAC Name2,4-dichloro-6-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=CC2=C(C=C1[N+](=O)[O-])C(=CC(=N2)Cl)Cl
InChI
InChI=1S/C9H4Cl2N2O2/c10-7-4-9(11)12-8-2-1-5(13(14)15)3-6(7)8/h1-4H
InChIKey
ZHHMYLFTTXCPRJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,4-Dichloro-6-nitroquinoline
CAS: 408523-59-1
CID: 53422878
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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Alternative Products

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OR93127-012,4-Dichloro-6-nitroquinoline
OR76129-012,6-Dichloro-5-nitroquinoline
OR86619-016-Bromo-2,4-dichloro-3-nitroquinoline
OR1070143-012,4-Dichloro-8-nitroquinoline
OR2001592,4-Dichloro-3-nitroquinoline
SID58717-014,6-Dichloro-5-fluoro-3-nitroquinoline
OR4713854,7-Dichloro-3-nitroquinoline
OR1003126-016-Nitroquinoline-2,4-diol
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