| CAS Number | 860585-81-5 |
| Catalog Number | AG00IDVV(AGN-PC-0WRA2X) |
| Chemical Name | 4-Iodo-2-Methoxy-1-Nitrobenzene |
| IUPAC Name | 4-iodo-2-methoxy-1-nitrobenzene |
| InChI | InChI=1S/C7H6INO3/c1-12-7-4-5(8)2-3-6(7)9(10)11/h2-4H,1H3 |
| InChI Key | HIXMWPAZDDJWNC-UHFFFAOYSA-N |
| MDL Number | MFCD18397934 |
| Molecular Formula | C7H6INO3 |
| Molecular Weight | 279.0319 |
| SMILES | COC1=C(C=CC(=C1)I)[N+](=O)[O-] |
| Synonyms | 4-iodo-2-methoxy-1-nitrobenzene,
860585-81-5,
5-Iodo-2-nitroanisole,
2-methoxy-4-iodonitrobenzene,
SCHEMBL10208413,
KM2378,
MFCD18397934,
ZINC95217811,
AKOS005216837,
FCH1327682,
OR400064,
PS-10570,
V8155,
C7H6INO3,
2-IODO-6-NITROANISOLE,
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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