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2- (3,5-Dichlorophenyl) pyrrolidine

CAT: 0127-OR12506-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR12506-01Size:100 mg
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CAS Number
887344-13-0
Synonyms
2- (3,5-Dichlorophenyl) tetrahydropyrrole, 1,3-Dichloro-5- (pyrrolidin-2-yl) benzene
MDL Number
MFCD02684093
Purity
=95%
Smiles
Clc1cc(Cl)cc(c1)C2CCCN2
Storage Conditions
Store at 2-8°C

Chemical Information

2-(3,5-Dichlorophenyl)pyrrolidine
CAS Number887344-13-0
PubChem CID3677656
IUPAC Name2-(3,5-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
Complexity164
SMILES
C1CC(NC1)C2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C10H11Cl2N/c11-8-4-7(5-9(12)6-8)10-2-1-3-13-10/h4-6,10,13H,1-3H2
InChIKey
RGJUGOHYPAYSDI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(3,5-Dichlorophenyl)pyrrolidine
CAS: 887344-13-0
CID: 3677656
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
Complexity164
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