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2,3-Dichloropropionanilide

CAT: 0572-TRC-D436828-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D436828-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
17839-22-4
Hazard Statement
No Data Available
Smiles
ClCC(Cl)C(=O)Nc1ccccc1
Molecular Formula
C9 H9 Cl2 N O
Molecular Weight
218.08
InChI
InChI=1S/C9H9Cl2NO/c10-6-8(11)9(13)12-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,12,13)
Additionnal Information
IUPAC name: 2,3-dichloro-N-phenylpropanamide
Shipping Conditions
Room Temperature

Chemical Information

2,3-Dichloropropionanilide
CAS Number17839-22-4
PubChem CID4612707
IUPAC Name2,3-dichloro-N-phenylpropanamide
Molecular FormulaC9H9Cl2NO
Molecular Weight218.08
XLogP2.3
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity169
SMILES
C1=CC=C(C=C1)NC(=O)C(CCl)Cl
InChI
InChI=1S/C9H9Cl2NO/c10-6-8(11)9(13)12-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,12,13)
InChIKey
TZDRAQXFGLPUPV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,3-Dichloropropionanilide
CAS: 17839-22-4
CID: 4612707
Formula: C9H9Cl2NO
MW: 218.08
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight218.08
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass217.0061193
Monoisotopic Mass217.0061193
Topological Polar Surface Area29.1 Ų
Heavy Atom Count13
Formal Charge0
Complexity169
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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