| CAS Number | 56251-58-2 |
| Catalog Number | AG00IA1O(AGN-PC-0NI51B) |
| Chemical Name | 1,3-Benzodioxol-5-amine, 6-bromo- |
| IUPAC Name | 6-bromo-1,3-benzodioxol-5-amine |
| InChI | InChI=1S/C7H6BrNO2/c8-4-1-6-7(2-5(4)9)11-3-10-6/h1-2H,3,9H2 |
| InChI Key | RIAWWMUJPLZBMT-UHFFFAOYSA-N |
| MDL Number | MFCD12547817 |
| Molecular Formula | C7H6BrNO2 |
| Molecular Weight | 216.0320 |
| SMILES | BrC=1C(=CC2=C(OCO2)C1)N |
| Synonyms | 6-Bromo-2H-1,3-benzodioxol-5-amine,
56251-58-2,
6-bromobenzo[d][1,3]dioxol-5-amine,
SCHEMBL3073324,
RIAWWMUJPLZBMT-UHFFFAOYSA-N,
ZINC40571503,
6-bromo-benzo[1,3]dioxol-5-ylamine,
1,3-Benzodioxol-5-amine, 6-bromo-,
AKOS024086448,
MCULE-6556216889,
Y2862,
F1923-0161,
C7H6BrNO2,
2-bromo-4,5-methylenedioxyaniline,
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| Complexity | 155 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.958g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.034g/mol |
| Monoisotopic Mass | 214.958g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 44.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number