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13230-03-0 | 1H-Imidazole, 2-ethyl-5-nitro-
CAS No: 13230-03-0 Catalog No: AG0010HZ MDL No:MFCD01721444
Product Description
Catalog Number:
AG0010HZ
Chemical Name:
1H-Imidazole, 2-ethyl-5-nitro-
CAS Number:
13230-03-0
Molecular Formula:
C5H7N3O2
Molecular Weight:
141.1280
MDL Number:
MFCD01721444
IUPAC Name:
2-ethyl-5-nitro-1H-imidazole
InChI:
InChI=1S/C5H7N3O2/c1-2-4-6-3-5(7-4)8(9)10/h3H,2H2,1H3,(H,6,7)
InChI Key:
MXNAZXOOFZKJEV-UHFFFAOYSA-N
SMILES:
CCc1ncc([nH]1)[N+](=O)[O-]
EC Number:
236-200-1
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.054g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
141.13g/mol
Monoisotopic Mass:
141.054g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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