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10045-33-7 | 1H-Imidazole, 1-ethyl-2-nitro-
CAS No: 10045-33-7 Catalog No: AG000218 MDL No:
Product Description
Catalog Number:
AG000218
Chemical Name:
1H-Imidazole, 1-ethyl-2-nitro-
CAS Number:
10045-33-7
Molecular Formula:
C5H7N3O2
Molecular Weight:
141.1280
IUPAC Name:
1-ethyl-2-nitroimidazole
InChI:
InChI=1S/C5H7N3O2/c1-2-7-4-3-6-5(7)8(9)10/h3-4H,2H2,1H3
InChI Key:
MABXKNBNVAVNDP-UHFFFAOYSA-N
SMILES:
CCn1ccnc1[N+](=O)[O-]
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:
0
Isotope Atom Count:
0
Molecular Weight:
141.13g/mol
Monoisotopic Mass:
141.054g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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