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5-Chloro-2-hydroxy-3-nitropyridine

CAT: 0127-OR9001Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR9001Size:1 g
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CAS Number
21427-61-2
Synonyms
5-Chloro-3-nitropyridin-2-ol
MDL Number
MFCD00114884
Purity
95%
Smiles
Oc1ncc(Cl)cc1[N+](=O)[O-]

Chemical Information

5-Chloro-2-hydroxy-3-nitropyridine
CAS Number21427-61-2
PubChem CID248048
IUPAC Name5-chloro-3-nitro-1H-pyridin-2-one
Molecular FormulaC5H3ClN2O3
Molecular Weight174.54
XLogP0.6
Topological Polar Surface Area74.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity276
SMILES
C1=C(C(=O)NC=C1Cl)[N+](=O)[O-]
InChI
InChI=1S/C5H3ClN2O3/c6-3-1-4(8(10)11)5(9)7-2-3/h1-2H,(H,7,9)
InChIKey
QVGQNICXNZMXQA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Chloro-2-hydroxy-3-nitropyridine
CAS: 21427-61-2
CID: 248048
Formula: C5H3ClN2O3
MW: 174.54
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight174.54
XLogP30.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass173.9832197
Monoisotopic Mass173.9832197
Topological Polar Surface Area74.9 Ų
Heavy Atom Count11
Formal Charge0
Complexity276
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