CID 28267523
PubChem CID
28267523
Structure
Molecular Formula
Status
Non-live
Molecular Weight
154.20 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
[(2S)-2-(4-fluorophenyl)propyl]azanium
InChI=1S/C9H12FN/c1-7(6-11)8-2-4-9(10)5-3-8/h2-5,7H,6,11H2,1H3/p+1/t7-/m1/s1
YRBRJLWZJHRXBG-SSDOTTSWSA-O
C[C@H](C[NH3+])C1=CC=C(C=C1)F
C9H13FN+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
154.20 g/mol
Property Name
XLogP3-AA
Property Value
1.7
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
2
Property Name
Exact Mass
Property Value
154.103202581 g/mol
Property Name
Monoisotopic Mass
Property Value
154.103202581 g/mol
Property Name
Topological Polar Surface Area
Property Value
27.6 A^2
Property Name
Heavy Atom Count
Property Value
11
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
108
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
1
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
CONTENTS