CID 47210995
PubChem CID
47210995
Structure
Molecular Formula
Status
Non-live
Molecular Weight
296.20 g/mol
Dates
- Create:2010-11-26
Chemical Structure Depiction
N-[1-(4-bromophenyl)propan-2-yl]-3-methylbut-2-enamide
InChI=1S/C14H18BrNO/c1-10(2)8-14(17)16-11(3)9-12-4-6-13(15)7-5-12/h4-8,11H,9H2,1-3H3,(H,16,17)
BREYJQBKDFNTMC-UHFFFAOYSA-N
CC(CC1=CC=C(C=C1)Br)NC(=O)C=C(C)C
C14H18BrNO
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
296.20 g/mol
Property Name
XLogP3-AA
Property Value
4.1
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
295.05718 g/mol
Property Name
Monoisotopic Mass
Property Value
295.05718 g/mol
Property Name
Topological Polar Surface Area
Property Value
29.1 A^2
Property Name
Heavy Atom Count
Property Value
17
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
276
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
1
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