4-Bromo-3-nitrobenzamide - CAS 879-93-6
Catalog: |
BB062114 |
Product Name: |
4-Bromo-3-nitrobenzamide |
CAS: |
879-93-6 |
Synonyms: |
4-bromo-3-nitrobenzamide; 3-Nitro-4-bromobenzamide |
IUPAC Name: | 4-bromo-3-nitrobenzamide |
Description: | 4-Bromo-3-nitrobenzamide |
Molecular Weight: | 245.03 |
Molecular Formula: | C7H5BrN2O3 |
Canonical SMILES: | C1=CC(=C(C=C1C(=O)N)[N+](=O)[O-])Br |
InChI: | InChI=1S/C7H5BrN2O3/c8-5-2-1-4(7(9)11)3-6(5)10(12)13/h1-3H,(H2,9,11) |
InChI Key: | XEXLVJPVLGTROT-UHFFFAOYSA-N |
Complexity: | 228 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 243.94835 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 243.94835 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 88.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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