CID 40650441
PubChem CID
40650441
Structure
Molecular Formula
Status
Non-live
Molecular Weight
303.21 g/mol
Dates
- Create:2009-05-30
Chemical Structure Depiction
[(2S)-3-(2-bromophenoxy)-2-hydroxypropyl]-(2-methylpropyl)azanium
InChI=1S/C13H20BrNO2/c1-10(2)7-15-8-11(16)9-17-13-6-4-3-5-12(13)14/h3-6,10-11,15-16H,7-9H2,1-2H3/p+1/t11-/m0/s1
MHLWLDGPXLHXED-NSHDSACASA-O
CC(C)C[NH2+]C[C@@H](COC1=CC=CC=C1Br)O
C13H21BrNO2+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
303.21 g/mol
Property Name
XLogP3-AA
Property Value
2.9
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
7
Property Name
Exact Mass
Property Value
302.07557 g/mol
Property Name
Monoisotopic Mass
Property Value
302.07557 g/mol
Property Name
Topological Polar Surface Area
Property Value
46.1 A^2
Property Name
Heavy Atom Count
Property Value
17
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
202
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