| CAS Number | 460044-83-1 |
| Catalog Number | AG00DOAT(AGN-PC-0RU9KS) |
| Chemical Name | 2-Amino-6-Nitrobenzo[d]thiazol-4-ol |
| IUPAC Name | 2-amino-6-nitro-1,3-benzothiazol-4-ol |
| InChI | InChI=1S/C7H5N3O3S/c8-7-9-6-4(11)1-3(10(12)13)2-5(6)14-7/h1-2,11H,(H2,8,9) |
| InChI Key | UBWOTKJTWBBNMA-UHFFFAOYSA-N |
| MDL Number | MFCD02765681 |
| Molecular Formula | C7H5N3O3S |
| Molecular Weight | 211.1979 |
| SMILES | N1=C(N)SC2C=C(C=C(O)C1=2)[N+](=O)[O-] |
| Synonyms | 2-amino-6-nitrobenzo[d]thiazol-4-ol,
2-Amino-6-nitro-benzothiazol-4-ol,
460044-83-1,
BAS 03422497,
AC1MK1HG,
Oprea1_287280,
Oprea1_465284,
CTK5I2933,
2-Amino-6-nitrobenzothiazol-4-ol,
ZINC355937,
4-benzothiazolol,2-amino-6-nitro-,
AKOS003259893,
2-amino-6-nitro-1,3-benzothiazol-4-ol,
SR-01000320815,
SR-01000320815-1,
CID3147258,
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| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.005g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.195g/mol |
| Monoisotopic Mass | 211.005g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 133A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number