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6-Chloro-5-nitronicotinic Acid

CAT: 1266-JH753992Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1266-JH753992Size:1 Each
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CAS Number
7477-10-3
Hazard Statement
Xi
Stability
Stable at room temperature in closed containers under normal storage and handling conditions.
Molecular Formula
C6H3ClN2O4
Molecular Weight
202.55
Product Name Synonym
6-chloro-5-nitropyridine-3-carboxylic acid
Physical Properties
Off-White to Pale Yellow Crystalline Solid
Hazardous Class
6.1
Safety Statements
S26; S36
Density
1.702g/cm3
Flash Point
414.5oC
RIDADR
3276
Melting Point
-12oC

Chemical Information

6-Chloro-5-nitropyridine-3-carboxylic acid
CAS Number7477-10-3
PubChem CID346459
IUPAC Name6-chloro-5-nitropyridine-3-carboxylic acid
Molecular FormulaC6H3ClN2O4
Molecular Weight202.55
XLogP1.2
Topological Polar Surface Area96
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity229
SMILES
C1=C(C=NC(=C1[N+](=O)[O-])Cl)C(=O)O
InChI
InChI=1S/C6H3ClN2O4/c7-5-4(9(12)13)1-3(2-8-5)6(10)11/h1-2H,(H,10,11)
InChIKey
HCRHNMXCDNACMH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Chloro-5-nitropyridine-3-carboxylic acid
CAS: 7477-10-3
CID: 346459
Formula: C6H3ClN2O4
MW: 202.55
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight202.55
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass201.9781343
Monoisotopic Mass201.9781343
Topological Polar Surface Area96 Ų
Heavy Atom Count13
Formal Charge0
Complexity229
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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