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3-Hydroxy Guanfacine

CAT: 1596-AR-G01635-06Size: 250 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-G01635-06Size:250 Units
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CAS Number
78197-84-9
Synonyms
N-carbamimidoyl-2- (2,6-dichloro-3-hydroxyphenyl) acetamide; N- (Aminoiminomethyl) -2,6-dichloro-3-hydroxy-benzeneacetamide;3-Hydroxy Guanfacine
Molecular Formula
C9H9Cl2N3O2
Molecular Weight
262.1
API Name
Guanfacine

Chemical Information

N-(Aminoiminomethyl)-2,6-dichloro-3-hydroxybenzeneacetamide
CAS Number78197-84-9
PubChem CID132831
IUPAC NameN-(diaminomethylidene)-2-(2,6-dichloro-3-hydroxyphenyl)acetamide
Molecular FormulaC9H9Cl2N3O2
Molecular Weight262.09
XLogP1.6
Topological Polar Surface Area102
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity294
SMILES
C1=CC(=C(C(=C1O)Cl)CC(=O)N=C(N)N)Cl
InChI
InChI=1S/C9H9Cl2N3O2/c10-5-1-2-6(15)8(11)4(5)3-7(16)14-9(12)13/h1-2,15H,3H2,(H4,12,13,14,16)
InChIKey
WJJWHWYOPUIOBR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(Aminoiminomethyl)-2,6-dichloro-3-hydroxybenzeneacetamide
CAS: 78197-84-9
CID: 132831
Formula: C9H9Cl2N3O2
MW: 262.09
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight262.09
XLogP31.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass261.0071819
Monoisotopic Mass261.0071819
Topological Polar Surface Area102 Ų
Heavy Atom Count16
Formal Charge0
Complexity294
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