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2,6-Dichlorophenylacetamidine hydrochloride

CAT: 0024-sc-506997Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-506997Size:1 g
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CAS Number
175276-76-3

Chemical Information

(2,6-Dichlorophenyl)ethanimidamide--hydrogen chloride (1/1)
CAS Number175276-76-3
PubChem CID12690064
IUPAC Name2-(2,6-dichlorophenyl)ethanimidamide;hydrochloride
Molecular FormulaC8H9Cl3N2
Molecular Weight239.5
Topological Polar Surface Area49.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity162
SMILES
C1=CC(=C(C(=C1)Cl)CC(=N)N)Cl.Cl
InChI
InChI=1S/C8H8Cl2N2.ClH/c9-6-2-1-3-7(10)5(6)4-8(11)12;/h1-3H,4H2,(H3,11,12);1H
InChIKey
YNPZJFKKDYCULJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (2,6-Dichlorophenyl)ethanimidamide--hydrogen chloride (1/1)
CAS: 175276-76-3
CID: 12690064
Formula: C8H9Cl3N2
MW: 239.5
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight239.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass237.983131
Monoisotopic Mass237.983131
Topological Polar Surface Area49.9 Ų
Heavy Atom Count13
Formal Charge0
Complexity162
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