200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 104406-69-1
104406-69-1 | 4H-Imidazole, 4,4-dimethyl-5-phenyl-, 1,3-dioxide
CAS No: 104406-69-1 Catalog No: AG007HU4 MDL No:
Product Description
Catalog Number:
AG007HU4
Chemical Name:
4H-Imidazole, 4,4-dimethyl-5-phenyl-, 1,3-dioxide
CAS Number:
104406-69-1
Molecular Formula:
C11H12N2O2
Molecular Weight:
204.2252
IUPAC Name:
4,4-dimethyl-1,3-dioxido-5-phenylimidazole-1,3-diium
InChI:
InChI=1S/C11H12N2O2/c1-11(2)10(12(14)8-13(11)15)9-6-4-3-5-7-9/h3-8H,1-2H3
InChI Key:
XYTORJWQWSFNKJ-UHFFFAOYSA-N
SMILES:
CC1(C)[N+](=C[N+](=C1c1ccccc1)[O-])[O-]
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.229g/mol
Monoisotopic Mass:
204.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.