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Nitrapyrin

CAT: 1489-N7830-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:1489-N7830-01Size:25 g
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CAS Number
1929-82-4

Chemical Information

Nitrapyrin

Nitrapyrin can cause cancer according to an independent committee of scientific and health experts. It can cause developmental toxicity according to The Environmental Protection Agency (EPA).

CAS Number1929-82-4
PubChem CID16004
IUPAC Name2-chloro-6-(trichloromethyl)pyridine
Molecular FormulaC6H3Cl4N
Molecular Weight230.9
XLogP3.4
Topological Polar Surface Area12.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity133
SMILES
C1=CC(=NC(=C1)Cl)C(Cl)(Cl)Cl
InChI
InChI=1S/C6H3Cl4N/c7-5-3-1-2-4(11-5)6(8,9)10/h1-3H
InChIKey
DCUJJWWUNKIJPH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nitrapyrin
CAS: 1929-82-4
CID: 16004
Formula: C6H3Cl4N
MW: 230.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight230.9
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass230.899010
Monoisotopic Mass228.901960
Topological Polar Surface Area12.9 Ų
Heavy Atom Count11
Formal Charge0
Complexity133
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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