4-Hydroxy Clonidine

CAT: 1596-AR-C03229-04Size: 100 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-C03229-04Size:100 Units

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CAS Number

57101-48-1

Synonyms

3,5-dichloro-4- ((4,5-dihydro-1H-imidazol-2-yl) amino) phenol; p-Hydroxyclonidine; ST 666

Molecular Formula

C9H9Cl2N3O

Molecular Weight

246.1

API Name

Clonidine

Chemical Information

4-Hydroxyclonidine

4-Hydroxyclonidine is a dichlorobenzene.

CAS Number	57101-48-1
PubChem CID	92660
IUPAC Name	3,5-dichloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)phenol
Molecular Formula	C9H9Cl2N3O
Molecular Weight	246.09
XLogP	1.5
Topological Polar Surface Area	56.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	15
Formal Charge	0
Complexity	250

SMILES

C1CN=C(N1)NC2=C(C=C(C=C2Cl)O)Cl

InChI

InChI=1S/C9H9Cl2N3O/c10-6-3-5(15)4-7(11)8(6)14-9-12-1-2-13-9/h3-4,15H,1-2H2,(H2,12,13,14)

InChIKey

NTWBRPXHGAXREI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 57101-48-1

CID: 92660

Formula: C9H9Cl2N3O

MW: 246.09

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	246.09
XLogP3	1.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	245.0122673
Monoisotopic Mass	245.0122673
Topological Polar Surface Area	56.7 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	250
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-206887	4-Hydroxy Clonidine
HY-132423S-01	4-Hydroxy Clonidine-d4
H918400	4-Hydroxy Clonidine Hydrochloride
sc-352406	4-Hydroxy Clonidine Acetate Labeled d4
TRC-M262140-25MG	4-Methoxy Clonidine
RM-C122904-01	Clonidine Impurity 4
C5843-75	Clonidine-d4 Hydrochloride (N- (2,6-Dichlorophenyl) -4,5-dihydro-1H-imidazol-d4-2-amine, 2- (2,6-Dichloroanilino) -2-imidazoline-d4, ST-155-d4, Catapres-d4, Catapresan-d4)
MBS6098175-01	Clonidine-d4 Hydrochloride (N-(2,6-Dichlorophenyl)-4,5-dihydro-1H-imidazol-d4-2-amine, 2-(2,6-Dichloroanilino)-2-imidazoline-d4, ST-155-d4, Catapres-d4, Catapresan-d4)
BA5102-100	Clonidine