| CAS Number | 1000802-34-5 |
| Catalog Number | AG0000VB(AGN-PC-09TR7D) |
| Chemical Name | 6-Iodobenzo[d][1,3]dioxol-5-amine |
| IUPAC Name | 6-iodo-1,3-benzodioxol-5-amine |
| InChI | InChI=1S/C7H6INO2/c8-4-1-6-7(2-5(4)9)11-3-10-6/h1-2H,3,9H2 |
| InChI Key | QJMNGYVZGVGPQH-UHFFFAOYSA-N |
| MDL Number | MFCD23728743 |
| Molecular Formula | C7H6INO2 |
| Molecular Weight | 263.0325 |
| SMILES | NC1=C(I)C=C(OCO2)C2=C1 |
| Synonyms | 6-iodobenzo[d][1,3]dioxol-5-amine,
1000802-34-5,
6-iodo-1,3-benzodioxol-5-amine,
6-Iodo-2H-1,3-benzodioxol-5-amine,
SCHEMBL1743405,
DTXSID70705414,
QJMNGYVZGVGPQH-UHFFFAOYSA-N,
KS-00000RB6,
MFCD23728743,
ZINC71257334,
1,3-Benzodioxol-5-aMine, 6-iodo-,
AKOS016012850,
DS-5504,
AK127270,
AJ-117808,
CS-0041325,
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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 | 262.944g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.034g/mol |
| Monoisotopic Mass | 262.944g/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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Hazard Class
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Hazard statements
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H302
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Packing Group
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Precautionary statements
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P280-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number