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1- (2,4-dichlorophenyl) -2-methylpropan-1-ol

CAT: 0127-OR1082160-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1082160-01Size:250 mg
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CAS Number
1291801-56-3
MDL Number
MFCD14610243
Purity
95%
Smiles
C (C (C) C) (O) c1c (Cl) cc (Cl) cc1

Chemical Information

1-(2,4-Dichlorophenyl)-2-methylpropan-1-ol
CAS Number1291801-56-3
PubChem CID61270648
IUPAC Name1-(2,4-dichlorophenyl)-2-methylpropan-1-ol
Molecular FormulaC10H12Cl2O
Molecular Weight219.10
XLogP3.7
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity161
SMILES
CC(C)C(C1=C(C=C(C=C1)Cl)Cl)O
InChI
InChI=1S/C10H12Cl2O/c1-6(2)10(13)8-4-3-7(11)5-9(8)12/h3-6,10,13H,1-2H3
InChIKey
VWIDNKZYHFTPSG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(2,4-Dichlorophenyl)-2-methylpropan-1-ol
CAS: 1291801-56-3
CID: 61270648
Formula: C10H12Cl2O
MW: 219.10
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight219.10
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass218.0265204
Monoisotopic Mass218.0265204
Topological Polar Surface Area20.2 Ų
Heavy Atom Count13
Formal Charge0
Complexity161
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

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Alternative Products

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FDA85413-012- (3,4-Dichlorophenyl) -2-methylpropan-1-ol
ZEA28591-011- (2,6-Dichlorophenyl) -2-methylpropan-1-ol
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CHB55699-011- (2,4-Dichlorophenyl) -2-methylpropan-2-amine
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HCA46991-011- (4-Bromophenyl) -2-methylpropan-2-ol
413586-012- (4-Aminophenyl) -2-methylpropan-1-ol
ZTB66523-011- (4-Aminophenoxy) -2-methylpropan-2-ol
RG-M050879-012-Methylpropan-1-Ol
PDA65570-012- (3,4-Dichlorophenyl) -2-methylpropan-1-amine

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