| CAS Number | 935676-14-5 |
| Catalog Number | AG00IHO9(AGN-PC-0WQY0P) |
| Chemical Name | Methyl 4-amino-2-chloro-3-iodobenzoate |
| IUPAC Name | methyl 4-amino-2-chloro-3-iodobenzoate |
| InChI | InChI=1S/C8H7ClINO2/c1-13-8(12)4-2-3-5(11)7(10)6(4)9/h2-3H,11H2,1H3 |
| InChI Key | UPSLUSZCJZGFEL-UHFFFAOYSA-N |
| MDL Number | MFCD28405558 |
| Molecular Formula | C8H7ClINO2 |
| Molecular Weight | 311.5041 |
| SMILES | O=C(OC)C1=CC=C(N)C(I)=C1Cl |
| Synonyms | methyl 4-amino-2-chloro-3-iodobenzoate,
935676-14-5,
SCHEMBL903478,
UPSLUSZCJZGFEL-UHFFFAOYSA-N,
MFCD28405558,
ZINC114814205,
methy 4-amino-2-chloro-3-iodo-benzoate,
AS-54680,
methyl 4-amino-2-chloro-3-iodo-benzoate,
2-Chloro-3-iodo-4-aminobenzoic acid methyl ester,
4-amino-2-chloro-3-iodoBenzoic acid methyl ester,
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| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 310.921g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 311.503g/mol |
| Monoisotopic Mass | 310.921g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52.3A^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