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Home > Imidazoles > 62101-56-8
62101-56-8 | 3-(3-nitrophenyl)imidazolidine-2,4-dione
CAS No: 62101-56-8 Catalog No: AG00JH7K MDL No:MFCD07626478
Product Description
Catalog Number:
AG00JH7K
Chemical Name:
3-(3-nitrophenyl)imidazolidine-2,4-dione
CAS Number:
62101-56-8
Molecular Formula:
C9H7N3O4
Molecular Weight:
221.1696
MDL Number:
MFCD07626478
IUPAC Name:
3-(3-nitrophenyl)imidazolidine-2,4-dione
InChI:
InChI=1S/C9H7N3O4/c13-8-5-10-9(14)11(8)6-2-1-3-7(4-6)12(15)16/h1-4H,5H2,(H,10,14)
InChI Key:
APYCGSAQAHNIQG-UHFFFAOYSA-N
SMILES:
O=C1NCC(=O)N1c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.044g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.172g/mol
Monoisotopic Mass:
221.044g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
95.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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