Home Other Building Blocks 1-{[(3-fluorophenyl)methyl](methyl)carbamoyl}-3-methyl-1H-imidazol-3-ium iodide

1-{[(3-fluorophenyl)methyl](methyl)carbamoyl}-3-methyl-1H-imidazol-3-ium iodide

CAS No.:
1231967-34-2
Catalog Number:
AG019QR1
Molecular Formula:
C13H15FIN3O
Molecular Weight:
375.1806
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG019QR1
Chemical Name:
1-{[(3-fluorophenyl)methyl](methyl)carbamoyl}-3-methyl-1H-imidazol-3-ium iodide
CAS Number:
1231967-34-2
Molecular Formula:
C13H15FIN3O
Molecular Weight:
375.1806
MDL Number:
MFCD11099736
IUPAC Name:
N-[(3-fluorophenyl)methyl]-N,3-dimethylimidazol-3-ium-1-carboxamide;iodide
InChI:
InChI=1S/C13H15FN3O.HI/c1-15-6-7-17(10-15)13(18)16(2)9-11-4-3-5-12(14)8-11;/h3-8,10H,9H2,1-2H3;1H/q+1;/p-1
InChI Key:
OYHNWAVKFYLNBT-UHFFFAOYSA-M
SMILES:
C[n+]1ccn(c1)C(=O)N(Cc1cccc(c1)F)C.[I-]
Properties
Complexity:
300  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.024g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
375.186g/mol
Monoisotopic Mass:
375.024g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties