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2- (3,4-dichlorophenyl) pyrrolidine

CAT: 0024-sc-339714ASize: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-339714ASize:1 g
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CAS Number
298690-82-1

Chemical Information

2-(3,4-Dichlorophenyl)pyrrolidine
CAS Number298690-82-1
PubChem CID3446731
IUPAC Name2-(3,4-dichlorophenyl)pyrrolidine
Molecular FormulaC10H11Cl2N
Molecular Weight216.10
XLogP3.1
Topological Polar Surface Area12
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity174
SMILES
C1CC(NC1)C2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C10H11Cl2N/c11-8-4-3-7(6-9(8)12)10-2-1-5-13-10/h3-4,6,10,13H,1-2,5H2
InChIKey
LTITXVXGJJQFJC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(3,4-Dichlorophenyl)pyrrolidine
CAS: 298690-82-1
CID: 3446731
Formula: C10H11Cl2N
MW: 216.10
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight216.10
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass215.0268547
Monoisotopic Mass215.0268547
Topological Polar Surface Area12 Ų
Heavy Atom Count13
Formal Charge0
Complexity174
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