| CAS Number | 7748-57-4 |
| Catalog Number | AG00ICUY(AGN-PC-0WOJ9N) |
| Chemical Name | 5-Chloro-6-nitro-1,3-benzodioxole |
| IUPAC Name | 5-chloro-6-nitro-1,3-benzodioxole |
| InChI | InChI=1S/C7H4ClNO4/c8-4-1-6-7(13-3-12-6)2-5(4)9(10)11/h1-2H,3H2 |
| InChI Key | GWDKDQSLKYJHKS-UHFFFAOYSA-N |
| MDL Number | MFCD23134757 |
| Molecular Formula | C7H4ClNO4 |
| Molecular Weight | 201.5640 |
| SMILES | [O-][N+](=O)c1cc2OCOc2cc1Cl |
| Synonyms | 5-Chloro-6-nitro-1,3-benzodioxole,
7748-57-4,
1,3-Benzodioxole, 5-chloro-6-nitro-,
SCHEMBL20505550,
ZINC95094122,
Y2830,
C7H4ClNO4,
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| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.983g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.562g/mol |
| Monoisotopic Mass | 200.983g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 64.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number