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2,4-Dichloronitrobenzene

CAT: 0127-OR59963Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
611-06-3
MDL Number
MFCD00007071
Smiles
[O-][N+](=O)c1ccc(Cl)cc1Cl

Chemical Information

2,4-Dichloronitrobenzene

2,4-Dichloro-1-Nitrobenzene can cause cancer according to California Labor Code.

CAS Number611-06-3
PubChem CID11899
IUPAC Name2,4-dichloro-1-nitrobenzene
Molecular FormulaC6H3Cl2NO2
Molecular Weight192.00
XLogP3.1
Topological Polar Surface Area45.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity159
SMILES
C1=CC(=C(C=C1Cl)Cl)[N+](=O)[O-]
InChI
InChI=1S/C6H3Cl2NO2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H
InChIKey
QUIMTLZDMCNYGY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,4-Dichloronitrobenzene
CAS: 611-06-3
CID: 11899
Formula: C6H3Cl2NO2
MW: 192.00
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight192.00
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass190.9540837
Monoisotopic Mass190.9540837
Topological Polar Surface Area45.8 Ų
Heavy Atom Count11
Formal Charge0
Complexity159
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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