| CAS Number | 82463-74-9 |
| Catalog Number | AG0059K6(AGN-PC-05BJCQ) |
| Chemical Name | 6-Bromo-1,3-benzodioxole-5-carboxamide |
| IUPAC Name | 6-bromo-1,3-benzodioxole-5-carboxamide |
| InChI | InChI=1S/C8H6BrNO3/c9-5-2-7-6(12-3-13-7)1-4(5)8(10)11/h1-2H,3H2,(H2,10,11) |
| InChI Key | XAJNDBMJYKWZRH-UHFFFAOYSA-N |
| MDL Number | MFCD08753029 |
| Molecular Formula | C8H6BrNO3 |
| Molecular Weight | 244.0421 |
| SMILES | C1(C(N)=O)=CC2OCOC=2C=C1Br |
| Synonyms | 82463-74-9,
6-bromo-1,3-benzodioxole-5-carboxamide,
1,3-Benzodioxole-5-carboxamide, 6-bromo-,
6-Bromo-2H-1,3-benzodioxole-5-carboxamide,
CTK3D9341,
DTXSID80651135,
CHEMBRDG-BB 9071914,
MFCD08753029,
ZINC19094406,
AKOS006221636,
AJ-72445,
6-Bromobenzo[d][1,3]dioxole-5-carboxamide,
Y-4734,
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| Complexity | 223 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.953g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.044g/mol |
| Monoisotopic Mass | 242.953g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 61.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number