| CAS Number | 180161-60-8 |
| Catalog Number | AG00I00P |
| Chemical Name | Methyl 2-amino-3-iodobenzoate |
| IUPAC Name | methyl 2-amino-3-iodobenzoate |
| InChI | InChI=1S/C8H8INO2/c1-12-8(11)5-3-2-4-6(9)7(5)10/h2-4H,10H2,1H3 |
| InChI Key | JJGYCXIZTSIOLA-UHFFFAOYSA-N |
| MDL Number | MFCD16036888 |
| Molecular Formula | C8H8INO2 |
| Molecular Weight | 277.0591 |
| SMILES | NC1=C(C(=O)OC)C=CC=C1I |
| Synonyms | METHYL 2-AMINO-3-IODOBENZOATE,
180161-60-8,
SCHEMBL505590,
JJGYCXIZTSIOLA-UHFFFAOYSA-N,
ZINC97758646,
2-Amino-3-iodobenzoic acid methyl ester,
2-Amino-3-iodo-benzoic acid methyl ester,
AS-42875,
DA-09063,
FT-0738572,
Benzoic acid, 2-amino-3-iodo-, methyl ester,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 276.96g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.061g/mol |
| Monoisotopic Mass | 276.96g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number