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Org 12962 HCl

CAT: 0024-sc-301505Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-301505Size:10 mg
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CAS Number
210821-63-9

Chemical Information

1-(6-Chloro-5-(trifluoromethyl)pyridin-2-YL)piperazine hydrochloride
CAS Number210821-63-9
PubChem CID9796407
IUPAC Name1-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine;hydrochloride
Molecular FormulaC10H12Cl2F3N3
Molecular Weight302.12
Topological Polar Surface Area28.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count18
Formal Charge0
Complexity256
SMILES
C1CN(CCN1)C2=NC(=C(C=C2)C(F)(F)F)Cl.Cl
InChI
InChI=1S/C10H11ClF3N3.ClH/c11-9-7(10(12,13)14)1-2-8(16-9)17-5-3-15-4-6-17;/h1-2,15H,3-6H2;1H
InChIKey
FVDILXYXZAAJOS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(6-Chloro-5-(trifluoromethyl)pyridin-2-YL)piperazine hydrochloride
CAS: 210821-63-9
CID: 9796407
Formula: C10H12Cl2F3N3
MW: 302.12
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight302.12
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass301.0360373
Monoisotopic Mass301.0360373
Topological Polar Surface Area28.2 Ų
Heavy Atom Count18
Formal Charge0
Complexity256
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes