| CAS Number | 725266-66-0 |
| Catalog Number | AG00FHUB(AGN-PC-0WAKP3) |
| Chemical Name | 1-Iodo-3-methoxy-2-nitrobenzene, 3-Iodo-2-nitrophenyl methyl ether |
| IUPAC Name | 1-iodo-3-methoxy-2-nitrobenzene |
| InChI | InChI=1S/C7H6INO3/c1-12-6-4-2-3-5(8)7(6)9(10)11/h2-4H,1H3 |
| InChI Key | RINUUFLGNUBQLM-UHFFFAOYSA-N |
| MDL Number | MFCD18397933 |
| Molecular Formula | C7H6INO3 |
| Molecular Weight | 279.0319 |
| SMILES | IC1=C(C(=CC=C1)OC)[N+](=O)[O-] |
| Synonyms | 725266-66-0,
3-IODO-2-NITROANISOLE,
1-iodo-3-methoxy-2-nitrobenzene,
1-iodo-3-methoxy-2-nitrobenzene,3-iodo-2-nitrophenyl methyl ether,
3-Iodo-2-nitro anisole,
SCHEMBL20489366,
1-Iodo-3-methoxy-2-nitro-benzene,
ZX-AT013977,
MFCD18397933,
ZINC37631237,
FCH1372308,
OR45118,
AS-54512,
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| Complexity | 171 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.939g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 279.033g/mol |
| Monoisotopic Mass | 278.939g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number