1-(3-Methyl-4-nitrophenyl)-1H-imidazole - CAS 102791-92-4
Catalog: |
BB054712 |
Product Name: |
1-(3-Methyl-4-nitrophenyl)-1H-imidazole |
CAS: |
102791-92-4 |
Synonyms: |
1-(3-Methyl-4-nitrophenyl)-1H-imidazole |
IUPAC Name: | 1-(3-methyl-4-nitrophenyl)imidazole |
Molecular Weight: | 203.20 |
Molecular Formula: | C10H9N3O2 |
Canonical SMILES: | CC1=C(C=CC(=C1)N2C=CN=C2)[N+](=O)[O-] |
InChI: | InChI=1S/C10H9N3O2/c1-8-6-9(12-5-4-11-7-12)2-3-10(8)13(14)15/h2-7H,1H3 |
InChI Key: | HYTUDPOPONCSCM-UHFFFAOYSA-N |
Complexity: | 241 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 203.069476538 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 203.069476538 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 63.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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