CID 47467156
PubChem CID
47467156
Structure
Molecular Formula
Status
Non-live
Molecular Weight
258.72 g/mol
Dates
- Create:2010-11-26
Chemical Structure Depiction
3-(4-chloro-2-fluorophenyl)-1-methyl-1-(2-methylpropyl)urea
InChI=1S/C12H16ClFN2O/c1-8(2)7-16(3)12(17)15-11-5-4-9(13)6-10(11)14/h4-6,8H,7H2,1-3H3,(H,15,17)
CKISALJHUZBMGI-UHFFFAOYSA-N
CC(C)CN(C)C(=O)NC1=C(C=C(C=C1)Cl)F
C12H16ClFN2O
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
258.72 g/mol
Property Name
XLogP3
Property Value
3.3
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
258.0935190 g/mol
Property Name
Monoisotopic Mass
Property Value
258.0935190 g/mol
Property Name
Topological Polar Surface Area
Property Value
32.3 A^2
Property Name
Heavy Atom Count
Property Value
17
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
263
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