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Home > Imidazoles > 175024-99-4
175024-99-4 | 1H-Benzimidazole, 7-nitro-2-propyl-, 3-oxide
CAS No: 175024-99-4 Catalog No: AG00203X MDL No:
Product Description
Catalog Number:
AG00203X
Chemical Name:
1H-Benzimidazole, 7-nitro-2-propyl-, 3-oxide
CAS Number:
175024-99-4
Molecular Formula:
C10H11N3O3
Molecular Weight:
221.2126
IUPAC Name:
1-hydroxy-4-nitro-2-propylbenzimidazole
InChI:
InChI=1S/C10H11N3O3/c1-2-4-9-11-10-7(12(9)14)5-3-6-8(10)13(15)16/h3,5-6,14H,2,4H2,1H3
InChI Key:
UJPSPXCUUZMIBI-UHFFFAOYSA-N
SMILES:
CCCc1[nH]c2c([n+]1[O-])cccc2[N+](=O)[O-]
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.08g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.216g/mol
Monoisotopic Mass:
221.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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