| CAS Number | 201214-53-1 |
| Catalog Number | AG002D9O(AGN-PC-0NAIDH) |
| Chemical Name | Methyl 4-acetamido-5-iodo-2-methoxybenzoate |
| EC Number | 606-440-5 |
| IUPAC Name | methyl 4-acetamido-5-iodo-2-methoxybenzoate |
| InChI | InChI=1S/C11H12INO4/c1-6(14)13-9-5-10(16-2)7(4-8(9)12)11(15)17-3/h4-5H,1-3H3,(H,13,14) |
| InChI Key | HBIIHFLPYDIZCG-UHFFFAOYSA-N |
| MDL Number | MFCD13192093 |
| Molecular Formula | C11H12INO4 |
| Molecular Weight | 349.1217 |
| SMILES | COC(=O)C1=CC(I)=C(NC(C)=O)C=C1OC |
| Synonyms | Methyl 4-acetamido-5-iodo-2-methoxybenzoate,
201214-53-1,
SCHEMBL18239875,
KS-00000S5Y,
MFCD13192093,
ZINC34470426,
AKOS022188139,
DS-8883,
AJ-88755,
AK148209,
AX8285571,
Benzoic acid, 4-(acetylamino)-5-iodo-2-methoxy-, methyl ester,
ACN-037486,
CID10783973,
Methyl 4-acetamido-5-iodo-2-methoxy-benzoate,
EC 606-440-5,
methyl 4-(acetylamino)-5-iodo-2-methoxybenzoate,
N-(2-ethynyl-4-formyl-5-methoxyphenyl)acrylamide,
|
| Complexity | 297 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 348.981g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 349.124g/mol |
| Monoisotopic Mass | 348.981g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 64.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number