2-Bromo-6-fluoro-4-nitroaniline - CAS 455-58-3
Catalog: |
BB071104 |
Product Name: |
2-Bromo-6-fluoro-4-nitroaniline |
CAS: |
455-58-3 |
Synonyms: |
(2-Bromo-6-fluoro-4-nitrophenyl)amine |
IUPAC Name: | 2-bromo-6-fluoro-4-nitroaniline |
Molecular Weight: | 235.01 |
Molecular Formula: | C6H4N2O2FBr |
Canonical SMILES: | C1=C(C=C(C(=C1F)N)Br)[N+](=O)[O-] |
InChI: | InChI=1S/C6H4BrFN2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2 |
InChI Key: | YAQFGXYPGJATMT-UHFFFAOYSA-N |
Complexity: | 187 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 233.94402 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 233.94402 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 71.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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