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7-Chloro-4-nitroquinoline

CAT: 0572-TRC-C374830-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C374830-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1076199-85-3
Hazard Statement
No Data Available
Smiles
[O-][N+](=O)c1ccnc2cc(Cl)ccc12
Molecular Formula
C9 H5 Cl N2 O2
Molecular Weight
208.6
InChI
InChI=1S/C9H5ClN2O2/c10-6-1-2-7-8(5-6)11-4-3-9(7)12(13)14/h1-5H
Additionnal Information
IUPAC name: 7-chloro-4-nitroquinoline
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

7-Chloro-4-nitroquinoline
CAS Number1076199-85-3
PubChem CID29976142
IUPAC Name7-chloro-4-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=CN=C2C=C1Cl)[N+](=O)[O-]
InChI
InChI=1S/C9H5ClN2O2/c10-6-1-2-7-8(5-6)11-4-3-9(7)12(13)14/h1-5H
InChIKey
DNMLUVBXPFQOKB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-Chloro-4-nitroquinoline
CAS: 1076199-85-3
CID: 29976142
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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