CID 34884373
PubChem CID
34884373
Structure
Molecular Formula
Status
Non-live
Molecular Weight
300.35 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
N-[[4-(2-methylpropoxy)phenyl]methyl]-4-nitroaniline
InChI=1S/C17H20N2O3/c1-13(2)12-22-17-9-3-14(4-10-17)11-18-15-5-7-16(8-6-15)19(20)21/h3-10,13,18H,11-12H2,1-2H3
IWGRQLOZORNEBC-UHFFFAOYSA-N
CC(C)COC1=CC=C(C=C1)CNC2=CC=C(C=C2)[N+](=O)[O-]
C17H20N2O3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
300.35 g/mol
Property Name
XLogP3-AA
Property Value
4.5
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
6
Property Name
Exact Mass
Property Value
300.14739250 g/mol
Property Name
Monoisotopic Mass
Property Value
300.14739250 g/mol
Property Name
Topological Polar Surface Area
Property Value
67.1 A^2
Property Name
Heavy Atom Count
Property Value
22
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
327
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
Old substance
Old substance
Old substance
CONTENTS