CID 47474219
PubChem CID
47474219
Structure
Molecular Formula
Status
Non-live
Molecular Weight
350.23 g/mol
Dates
- Create:2010-11-26
Chemical Structure Depiction
methyl 2-bromo-5-[methyl(propyl)sulfamoyl]benzoate
InChI=1S/C12H16BrNO4S/c1-4-7-14(2)19(16,17)9-5-6-11(13)10(8-9)12(15)18-3/h5-6,8H,4,7H2,1-3H3
HNWKXISOZWKIFG-UHFFFAOYSA-N
CCCN(C)S(=O)(=O)C1=CC(=C(C=C1)Br)C(=O)OC
C12H16BrNO4S
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
350.23 g/mol
Property Name
XLogP3-AA
Property Value
2.5
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Property Name
Rotatable Bond Count
Property Value
6
Property Name
Exact Mass
Property Value
348.99834 g/mol
Property Name
Monoisotopic Mass
Property Value
348.99834 g/mol
Property Name
Topological Polar Surface Area
Property Value
72.1 A^2
Property Name
Heavy Atom Count
Property Value
19
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
406
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