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823803-16-3 | 1H-Imidazolium, 1-(2-chloroethyl)-3-(phenylmethyl)-, chloride
CAS No: 823803-16-3 Catalog No: AG005390 MDL No:
Product Description
Catalog Number:
AG005390
Chemical Name:
1H-Imidazolium, 1-(2-chloroethyl)-3-(phenylmethyl)-, chloride
CAS Number:
823803-16-3
Molecular Formula:
C12H16Cl2N2
Molecular Weight:
259.1748
IUPAC Name:
3-benzyl-1-(2-chloroethyl)-1,2-dihydroimidazol-1-ium;chloride
InChI:
InChI=1S/C12H15ClN2.ClH/c13-6-7-14-8-9-15(11-14)10-12-4-2-1-3-5-12;/h1-5,8-9H,6-7,10-11H2;1H
InChI Key:
SMEAAMHFTNIYMG-UHFFFAOYSA-N
SMILES:
ClCC[NH+]1C=CN(C1)Cc1ccccc1.[Cl-]
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.069g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.174g/mol
Monoisotopic Mass:
258.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
7.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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