| CAS Number | 405267-73-4 |
| Catalog Number | AG00CLC7(AGN-PC-01V4ML) |
| Chemical Name | (4-Amino-3-iodo-phenyl)-acetic acid ethyl ester |
| IUPAC Name | ethyl 2-(4-amino-3-iodophenyl)acetate |
| InChI | InChI=1S/C10H12INO2/c1-2-14-10(13)6-7-3-4-9(12)8(11)5-7/h3-5H,2,6,12H2,1H3 |
| InChI Key | GJBNIISVFGMPTE-UHFFFAOYSA-N |
| MDL Number | MFCD10703535 |
| Molecular Formula | C10H12INO2 |
| Molecular Weight | 305.1123 |
| SMILES | NC1=C(C=C(C=C1)CC(=O)OCC)I |
| Synonyms | ethyl 2-(4-amino-3-iodophenyl)acetate,
405267-73-4,
Ethyl (4-Amino-3-iodophenyl)acetate,
Ethyl 4-amino-3-iodophenylacetate,
(4-Amino-3-iodo-phenyl)-acetic acid ethyl ester,
SCHEMBL4597795,
CTK6F8453,
GJBNIISVFGMPTE-UHFFFAOYSA-N,
SBB053736,
ZINC20357983,
DA-06087,
FT-0712456,
Z-8663,
(4-amino-3-iodo-phenyl) acetic acid ethyl ester,
(4-amino-3-iodo-phenyl)acetic acid ethyl ester,
|
| Complexity | 199 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 304.991g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 305.115g/mol |
| Monoisotopic Mass | 304.991g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number