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Home > Imidazoles > 108857-45-0
108857-45-0 | 1-(3-Nitrophenyl);imidazolidin-2-one
CAS No: 108857-45-0 Catalog No: AG00831J MDL No:
Product Description
Catalog Number:
AG00831J
Chemical Name:
1-(3-Nitrophenyl);imidazolidin-2-one
CAS Number:
108857-45-0
Molecular Formula:
C9H9N3O3
Molecular Weight:
207.1861
IUPAC Name:
1-(3-nitrophenyl)imidazolidin-2-one
InChI:
InChI=1S/C9H9N3O3/c13-9-10-4-5-11(9)7-2-1-3-8(6-7)12(14)15/h1-3,6H,4-5H2,(H,10,13)
InChI Key:
RTPRBBVFDDGLFS-UHFFFAOYSA-N
SMILES:
O=C1NCCN1c1cccc(c1)[N+](=O)[O-]
NSC Number:
145896
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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