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2,5-Dichloro-4-nitropyridine

CAT: 0926-AGC70163-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-AGC70163-01Size:50 mg
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CAS Number
1400701-63-4
MDL Number
MFCD28648163
Smiles
C1=C (C (=CN=C1Cl) Cl) [N+] (=O) [O-]
Molecular Formula
C5H2Cl2N2O2
Molecular Weight
192.98 g/mol
Controlled
No

Chemical Information

2,5-Dichloro-4-nitropyridine
CAS Number1400701-63-4
PubChem CID15740877
IUPAC Name2,5-dichloro-4-nitropyridine
Molecular FormulaC5H2Cl2N2O2
Molecular Weight192.98
XLogP2.3
Topological Polar Surface Area58.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity161
SMILES
C1=C(C(=CN=C1Cl)Cl)[N+](=O)[O-]
InChI
InChI=1S/C5H2Cl2N2O2/c6-3-2-8-5(7)1-4(3)9(10)11/h1-2H
InChIKey
QVTSUHXJSAHBAB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,5-Dichloro-4-nitropyridine
CAS: 1400701-63-4
CID: 15740877
Formula: C5H2Cl2N2O2
MW: 192.98
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight192.98
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass191.9493327
Monoisotopic Mass191.9493327
Topological Polar Surface Area58.7 Ų
Heavy Atom Count11
Formal Charge0
Complexity161
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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