| CAS Number | 1239277-96-3 |
| Catalog Number | AG000L8G(AGN-PC-0WAA4X) |
| Chemical Name | 4-Bromo-7-(dibromomethyl)benzo[c][1,2,5]thiadiazole |
| IUPAC Name | 4-bromo-7-(dibromomethyl)-2,1,3-benzothiadiazole |
| InChI | InChI=1S/C7H3Br3N2S/c8-4-2-1-3(7(9)10)5-6(4)12-13-11-5/h1-2,7H |
| InChI Key | KMSKOKXCCSNUII-UHFFFAOYSA-N |
| MDL Number | MFCD22689100 |
| Molecular Formula | C7H3Br3N2S |
| Molecular Weight | 386.8891 |
| SMILES | BrC(c1ccc(c2c1nsn2)Br)Br |
| Synonyms | 4-Bromo-7-(dibromomethyl)benzo[c][1,2,5]thiadiazole,
1239277-96-3,
C7H3Br3N2S,
SCHEMBL14634379,
KM3923,
ZINC97972945,
CS-W004534,
FCH2308977,
AX8283932,
Z8738,
2,1,3-Benzothiadiazole, 4-bromo-7-(dibromomethyl)-,
4-BROMO-7-(DIBROMOMETHYL)-2,1,3-BENZOTHIADIAZOLE,
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| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 385.755g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 386.887g/mol |
| Monoisotopic Mass | 383.757g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number