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58031-81-5 | 4-nitro-1H-imidazole, sodium salt
CAS No: 58031-81-5 Catalog No: AG00F1ER MDL No:
Product Description
Catalog Number:
AG00F1ER
Chemical Name:
4-nitro-1H-imidazole, sodium salt
CAS Number:
58031-81-5
IUPAC Name:
sodium;5-nitro-1,2-dihydroimidazol-3-ide
InChI:
InChI=1S/C3H4N3O2.Na/c7-6(8)3-1-4-2-5-3;/h1,5H,2H2;/q-1;+1
InChI Key:
XZXHCWYUJOXWNC-UHFFFAOYSA-N
EC Number:
261-077-6
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.02g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
137.074g/mol
Monoisotopic Mass:
137.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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