Clencyclohexerol

CAT: 1596-AR-C07880-06Size: 250 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-C07880-06Size:250 Units

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CAS Number

157877-79-7

Molecular Formula

C14H20Cl2N2O2

Molecular Weight

319.23

API Name

Clencyclohexerol

Chemical Information

Clencyclohexerol

CAS Number	157877-79-7
PubChem CID	46783606
IUPAC Name	4-[[2-(4-amino-3,5-dichlorophenyl)-2-hydroxyethyl]amino]cyclohexan-1-ol
Molecular Formula	C14H20Cl2N2O2
Molecular Weight	319.2
XLogP	1.9
Topological Polar Surface Area	78.5
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	20
Formal Charge	0
Complexity	289

SMILES

C1CC(CCC1NCC(C2=CC(=C(C(=C2)Cl)N)Cl)O)O

InChI

InChI=1S/C14H20Cl2N2O2/c15-11-5-8(6-12(16)14(11)17)13(20)7-18-9-1-3-10(19)4-2-9/h5-6,9-10,13,18-20H,1-4,7,17H2

InChIKey

DKFLKXDTRUWFDL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 157877-79-7

CID: 46783606

Formula: C14H20Cl2N2O2

MW: 319.2

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	319.2
XLogP3	1.9
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	318.0901833
Monoisotopic Mass	318.0901833
Topological Polar Surface Area	78.5 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	289
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes