| CAS Number | 1261569-51-0 |
| Catalog Number | AG000RV1(AGN-PC-0D3RC2) |
| Chemical Name | ethyl 3-amino-4-iodobenzoate |
| IUPAC Name | ethyl 3-amino-4-iodobenzoate |
| InChI | InChI=1S/C9H10INO2/c1-2-13-9(12)6-3-4-7(10)8(11)5-6/h3-5H,2,11H2,1H3 |
| InChI Key | QBJZQAQWVLGNJY-UHFFFAOYSA-N |
| MDL Number | MFCD09839173 |
| Molecular Formula | C9H10INO2 |
| Molecular Weight | 291.0857 |
| SMILES | CCOC(C1=CC(N)=C(I)C=C1)=O |
| Synonyms | Ethyl 3-amino-4-iodobenzoate,
1261569-51-0,
Ethyl3-Amino-4-iodobenzoate,
SCHEMBL3666786,
CTK8C3797,
DTXSID00732879,
QBJZQAQWVLGNJY-UHFFFAOYSA-N,
5041AA,
ANW-70555,
ZINC62350285,
AKOS012322928,
AJ-114119,
TC-159300,
Benzoic acid, 3-amino-4-iodo-, ethyl ester,
ST24024883,
Z1363832943,
C9H10INO2,
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| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 290.976g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 291.088g/mol |
| Monoisotopic Mass | 290.976g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number