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87219-26-9 | 2,4-Imidazolidinedione, 3-(2-chloroethyl)-5-(phenylmethyl)-
CAS No: 87219-26-9 Catalog No: AG004RPT MDL No:
Product Description
Catalog Number:
AG004RPT
Chemical Name:
2,4-Imidazolidinedione, 3-(2-chloroethyl)-5-(phenylmethyl)-
CAS Number:
87219-26-9
Molecular Formula:
C12H13ClN2O2
Molecular Weight:
252.6968
IUPAC Name:
5-benzyl-3-(2-chloroethyl)imidazolidine-2,4-dione
InChI:
InChI=1S/C12H13ClN2O2/c13-6-7-15-11(16)10(14-12(15)17)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,17)
InChI Key:
XDSKSJFLSLIEJA-UHFFFAOYSA-N
SMILES:
ClCCN1C(=O)NC(C1=O)Cc1ccccc1
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.067g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.698g/mol
Monoisotopic Mass:
252.067g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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