CID 40811538
PubChem CID
40811538
Structure
Molecular Formula
Status
Non-live
Molecular Weight
221.10 g/mol
Dates
- Create:2009-05-30
Chemical Structure Depiction
2-(2,5-dichlorophenoxy)ethyl-methylazanium
InChI=1S/C9H11Cl2NO/c1-12-4-5-13-9-6-7(10)2-3-8(9)11/h2-3,6,12H,4-5H2,1H3/p+1
CKCUIBZUJZHUJT-UHFFFAOYSA-O
C[NH2+]CCOC1=C(C=CC(=C1)Cl)Cl
C9H12Cl2NO+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
221.10 g/mol
Property Name
XLogP3
Property Value
2.9
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
1
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
220.0295944 g/mol
Property Name
Monoisotopic Mass
Property Value
220.0295944 g/mol
Property Name
Topological Polar Surface Area
Property Value
25.8 A^2
Property Name
Heavy Atom Count
Property Value
13
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
146
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
Old substance
Old substance
CONTENTS