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1-(2-Chlorophenyl)propan-1-one

CAT: 0572-TRC-B405298-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B405298-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
6323-18-8
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
CCC(=O)c1ccccc1Cl
Molecular Formula
C9H9OCl
Molecular Weight
168.62
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

o-Chloropropiophenone
CAS Number6323-18-8
PubChem CID95743
IUPAC Name1-(2-chlorophenyl)propan-1-one
Molecular FormulaC9H9ClO
Molecular Weight168.62
XLogP2.6
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity144
SMILES
CCC(=O)C1=CC=CC=C1Cl
InChI
InChI=1S/C9H9ClO/c1-2-9(11)7-5-3-4-6-8(7)10/h3-6H,2H2,1H3
InChIKey
BTSCBJDORATYKJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of o-Chloropropiophenone
CAS: 6323-18-8
CID: 95743
Formula: C9H9ClO
MW: 168.62
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight168.62
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass168.0341926
Monoisotopic Mass168.0341926
Topological Polar Surface Area17.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity144
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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