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Home > Imidazoles > 500890-58-4
500890-58-4 | 1-(2-NITRO-PHENYL)-IMIDAZOLIDIN-2-ONE
CAS No: 500890-58-4 Catalog No: AG00DDQY MDL No:MFCD02671217
Product Description
Catalog Number:
AG00DDQY
Chemical Name:
1-(2-NITRO-PHENYL)-IMIDAZOLIDIN-2-ONE
CAS Number:
500890-58-4
Molecular Formula:
C9H9N3O3
Molecular Weight:
207.1861
MDL Number:
MFCD02671217
IUPAC Name:
1-(2-nitrophenyl)imidazolidin-2-one
InChI:
InChI=1S/C9H9N3O3/c13-9-10-5-6-11(9)7-3-1-2-4-8(7)12(14)15/h1-4H,5-6H2,(H,10,13)
InChI Key:
YBRKPAGSKIHGOY-UHFFFAOYSA-N
SMILES:
O=C1NCCN1c1ccccc1[N+](=O)[O-]
NSC Number:
256460
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.064g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.189g/mol
Monoisotopic Mass:
207.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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