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3- (4-Chlorophenyl) Propan-1-Ol

CAT: 1299-RG-A263529-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-A263529-01Size:10 mg
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CAS Number
6282-88-8
Synonyms
3- (4-chlorophenyl) propan-1-ol
Molecular Formula
C9H11ClO
Molecular Weight
170.64
Product Name Synonym
3- (4-chlorophenyl) propan-1-ol

Chemical Information

4-Chlorobenzenepropanol

3-(4-Chlorophenyl)propan-1-ol is an organochlorine compound.

CAS Number6282-88-8
PubChem CID221971
IUPAC Name3-(4-chlorophenyl)propan-1-ol
Molecular FormulaC9H11ClO
Molecular Weight170.63
XLogP2.2
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count11
Formal Charge0
Complexity97
SMILES
C1=CC(=CC=C1CCCO)Cl
InChI
InChI=1S/C9H11ClO/c10-9-5-3-8(4-6-9)2-1-7-11/h3-6,11H,1-2,7H2
InChIKey
ZHBIWFGGIKFSHZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Chlorobenzenepropanol
CAS: 6282-88-8
CID: 221971
Formula: C9H11ClO
MW: 170.63
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight170.63
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass170.0498427
Monoisotopic Mass170.0498427
Topological Polar Surface Area20.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity97.7
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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