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Clenproperol-d7

CAT: 1596-AR-C07884-03Size: 50 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-C07884-03Size:50 Units
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CAS Number
1173021-09-4
Molecular Formula
C11H9D7Cl2N2O
Molecular Weight
270.20
API Name
Clenproperol

Chemical Information

4-Amino-3,5-dichloro-alpha-[[[1-(methyl-d3)ethyl-1,2,2,2-d4]amino]methyl]benzenemethanol
CAS Number1173021-09-4
PubChem CID71312434
IUPAC Name1-(4-amino-3,5-dichlorophenyl)-2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)ethanol
Molecular FormulaC11H16Cl2N2O
Molecular Weight270.20
XLogP2
Topological Polar Surface Area58.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count16
Formal Charge0
Complexity204
SMILES
[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O
InChI
InChI=1S/C11H16Cl2N2O/c1-6(2)15-5-10(16)7-3-8(12)11(14)9(13)4-7/h3-4,6,10,15-16H,5,14H2,1-2H3/i1D3,2D3,6D
InChIKey
JXUDZCJTCKCTQK-NWOXSKRJSA-N
Chemical Structure
2D Structure
2D structure of 4-Amino-3,5-dichloro-alpha-[[[1-(methyl-d3)ethyl-1,2,2,2-d4]amino]methyl]benzenemethanol
CAS: 1173021-09-4
CID: 71312434
Formula: C11H16Cl2N2O
MW: 270.20
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight270.20
XLogP32
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass269.1079057
Monoisotopic Mass269.1079057
Topological Polar Surface Area58.3 Ų
Heavy Atom Count16
Formal Charge0
Complexity204
Isotope Atom Count7
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes