3-Bromo-4-fluoro-5-nitrobenzamide - CAS 1345471-86-4
Catalog: |
BB062005 |
Product Name: |
3-Bromo-4-fluoro-5-nitrobenzamide |
CAS: |
1345471-86-4 |
Synonyms: |
3-Bromo-4-fluoro-5-nitrobenzamide |
IUPAC Name: | 3-bromo-4-fluoro-5-nitrobenzamide |
Description: | 3-Bromo-4-fluoro-5-nitrobenzamide |
Molecular Weight: | 263.02 |
Molecular Formula: | C7H4BrFN2O3 |
Canonical SMILES: | C1=C(C=C(C(=C1[N+](=O)[O-])F)Br)C(=O)N |
InChI: | InChI=1S/C7H4BrFN2O3/c8-4-1-3(7(10)12)2-5(6(4)9)11(13)14/h1-2H,(H2,10,12) |
InChI Key: | ZZLBLAZKHBROQT-UHFFFAOYSA-N |
Complexity: | 258 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 261.93893 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 261.93893 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 88.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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