4-Bromo-2-(1-methylethyl)-6-nitro-benzenamine - CAS 1423024-65-0
Catalog: |
BB072192 |
Product Name: |
4-Bromo-2-(1-methylethyl)-6-nitro-benzenamine |
CAS: |
1423024-65-0 |
Synonyms: |
4-bromo-2-nitro-6-(propan-2-yl)aniline; 4-bromo-2-nitro-6-propan-2-ylaniline; Benzenamine, 4-bromo-2-(1-methylethyl)-6-nitro- |
IUPAC Name: | 4-bromo-2-nitro-6-propan-2-ylaniline |
Molecular Weight: | 259.1 |
Molecular Formula: | C9H11BrN2O2 |
Canonical SMILES: | CC(C)C1=C(C(=CC(=C1)Br)[N+](=O)[O-])N |
InChI: | InChI=1S/C9H11BrN2O2/c1-5(2)7-3-6(10)4-8(9(7)11)12(13)14/h3-5H,11H2,1-2H3 |
InChI Key: | PLQCPZLZGMHBKD-UHFFFAOYSA-N |
Complexity: | 217 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 258.00039 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 258.00039 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 71.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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