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Home > Imidazoles > 320422-95-5
320422-95-5 | 2-{3-[(4-methoxyphenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl}acetonitrile
CAS No: 320422-95-5 Catalog No: AG00IO2C MDL No:MFCD01314613
Product Description
Catalog Number:
AG00IO2C
Chemical Name:
2-{3-[(4-methoxyphenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl}acetonitrile
CAS Number:
320422-95-5
Molecular Formula:
C13H11N3O4
Molecular Weight:
273.2441
MDL Number:
MFCD01314613
IUPAC Name:
2-[3-[(4-methoxyphenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetonitrile
InChI:
InChI=1S/C13H11N3O4/c1-20-10-4-2-9(3-5-10)8-16-12(18)11(17)15(7-6-14)13(16)19/h2-5H,7-8H2,1H3
InChI Key:
SUEMIVPZWXOWKA-UHFFFAOYSA-N
SMILES:
N#CCN1C(=O)C(=O)N(C1=O)Cc1ccc(cc1)OC
Properties
Complexity:
473
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.075g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.248g/mol
Monoisotopic Mass:
273.075g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
90.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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