4,7-Dibromo-5,6-difluorobenzo[c][1,2,5]thiadiazole - CAS 1295502-53-2
Catalog: |
BB054744 |
Product Name: |
4,7-Dibromo-5,6-difluorobenzo[c][1,2,5]thiadiazole |
CAS: |
1295502-53-2 |
Synonyms: |
4,7-Dibromo-5,6-difluorobenzo[c][1,2,5]thiadiazole |
IUPAC Name: | 4,7-dibromo-5,6-difluoro-2,1,3-benzothiadiazole |
Molecular Weight: | 329.95 |
Molecular Formula: | C6Br2F2N2S |
Canonical SMILES: | C1(=C(C2=NSN=C2C(=C1F)Br)Br)F |
InChI: | InChI=1S/C6Br2F2N2S/c7-1-3(9)4(10)2(8)6-5(1)11-13-12-6 |
InChI Key: | HFUBKQHDPJZQIW-UHFFFAOYSA-N |
Melting Point: | 155 °C |
Purity: | 98% |
Storage: | Sealed in dry. Room temperature. |
MDL: | MFCD28369502 |
Precautionary Statement: | P280-P301+P310-P330-P304+P340-P312-P305+P351+P338-P337+P313 |
Signal Word: | Danger |
Complexity: | 191 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 329.80965 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 327.8117 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 54 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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