| CAS Number | 1022151-32-1 |
| Catalog Number | AG0006YK(AGN-PC-0WOQ7N) |
| Chemical Name | 6-Bromo-5-fluorobenzo[d]thiazol-2-amine |
| IUPAC Name | 6-bromo-5-fluoro-1,3-benzothiazol-2-amine |
| InChI | InChI=1S/C7H4BrFN2S/c8-3-1-6-5(2-4(3)9)11-7(10)12-6/h1-2H,(H2,10,11) |
| InChI Key | RTANGTWGWAJMPC-UHFFFAOYSA-N |
| MDL Number | MFCD23705697 |
| Molecular Formula | C7H4BrFN2S |
| Molecular Weight | 247.0875 |
| SMILES | NC1SC2=C(C=C(C(=C2)Br)F)N=1 |
| Synonyms | 1022151-32-1,
2-Benzothiazolamine, 6-bromo-5-fluoro-,
6-bromo-5-fluoro-benzothiazol-2-ylamine,
Z1839480850,
6-Bromo-5-fluorobenzo[d]thiazol-2-amine,
6-bromo-5-fluoro-1,3-benzothiazol-2-amine,
SCHEMBL4071678,
RTANGTWGWAJMPC-UHFFFAOYSA-N,
ZINC95829184,
AKOS026727472,
MCULE-7862297702,
NE46646,
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| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.926g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.085g/mol |
| Monoisotopic Mass | 245.926g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 67.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number