CID 39350553
PubChem CID
39350553
Structure
Molecular Formula
Status
Non-live
Molecular Weight
249.15 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
2-(3,4-dichlorophenoxy)ethyl-propan-2-ylazanium
InChI=1S/C11H15Cl2NO/c1-8(2)14-5-6-15-9-3-4-10(12)11(13)7-9/h3-4,7-8,14H,5-6H2,1-2H3/p+1
UCFAXAMWQIQDOJ-UHFFFAOYSA-O
CC(C)[NH2+]CCOC1=CC(=C(C=C1)Cl)Cl
C11H16Cl2NO+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
249.15 g/mol
Property Name
XLogP3
Property Value
3.6
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
5
Property Name
Exact Mass
Property Value
248.0608945 g/mol
Property Name
Monoisotopic Mass
Property Value
248.0608945 g/mol
Property Name
Topological Polar Surface Area
Property Value
25.8 A^2
Property Name
Heavy Atom Count
Property Value
15
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
178
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
CONTENTS