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3- (2-Chlorophenyl) -3-oxetanol

CAT: 0127-OR1086574-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1086574-01Size:250 mg
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CAS Number
1903789-21-8
MDL Number
MFCD34851889
Purity
95%
Smiles
OC1 (c2c (Cl) cccc2) COC1

Chemical Information

3-(2-Chlorophenyl)-3-oxetanol
CAS Number1903789-21-8
PubChem CID117548138
IUPAC Name3-(2-chlorophenyl)oxetan-3-ol
Molecular FormulaC9H9ClO2
Molecular Weight184.62
XLogP1.1
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity168
SMILES
C1C(CO1)(C2=CC=CC=C2Cl)O
InChI
InChI=1S/C9H9ClO2/c10-8-4-2-1-3-7(8)9(11)5-12-6-9/h1-4,11H,5-6H2
InChIKey
YZERDUONYSNQJT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(2-Chlorophenyl)-3-oxetanol
CAS: 1903789-21-8
CID: 117548138
Formula: C9H9ClO2
MW: 184.62
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight184.62
XLogP31.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass184.0291072
Monoisotopic Mass184.0291072
Topological Polar Surface Area29.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity168
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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