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(±) -2- (2,4-Dichlorophenyl) -2-hydroxyethylamine

CAT: 0926-NDA96593-02Size: 2.5 gDry Ice: NoHazardous: No
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CAT#:0926-NDA96593-02Size:2.5 g
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CAS Number
88965-93-9
MDL Number
MFCD31560209
Smiles
C1=CC (=C (C=C1Cl) Cl) C (CN) O
Molecular Formula
C8H9Cl2NO
Molecular Weight
206.07 g/mol
Controlled
No

Chemical Information

2-Amino-1-(2,4-dichlorophenyl)ethan-1-ol
CAS Number88965-93-9
PubChem CID14302212
IUPAC Name2-amino-1-(2,4-dichlorophenyl)ethanol
Molecular FormulaC8H9Cl2NO
Molecular Weight206.07
XLogP1.4
Topological Polar Surface Area46.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity145
SMILES
C1=CC(=C(C=C1Cl)Cl)C(CN)O
InChI
InChI=1S/C8H9Cl2NO/c9-5-1-2-6(7(10)3-5)8(12)4-11/h1-3,8,12H,4,11H2
InChIKey
WTTIEVRVCBIEQJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Amino-1-(2,4-dichlorophenyl)ethan-1-ol
CAS: 88965-93-9
CID: 14302212
Formula: C8H9Cl2NO
MW: 206.07
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight206.07
XLogP31.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass205.0061193
Monoisotopic Mass205.0061193
Topological Polar Surface Area46.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity145
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes