| CAS Number | 256935-85-0 |
| Catalog Number | AG00BF7O(AGN-PC-00H7Y9) |
| Chemical Name | METHYL 4-AMINO-2-CHLORO-5-IODOBENZOATE |
| IUPAC Name | methyl 4-amino-2-chloro-5-iodobenzoate |
| InChI | InChI=1S/C8H7ClINO2/c1-13-8(12)4-2-6(10)7(11)3-5(4)9/h2-3H,11H2,1H3 |
| InChI Key | ACKIVQFMUDRNPN-UHFFFAOYSA-N |
| MDL Number | MFCD09260863 |
| Molecular Formula | C8H7ClINO2 |
| Molecular Weight | 311.5042 |
| SMILES | O=C(OC)C1=CC(I)=C(N)C=C1Cl |
| Synonyms | methyl 4-amino-2-chloro-5-iodobenzoate,
256935-85-0,
AN-584/43393262,
SCHEMBL144288,
CTK6I9327,
ACKIVQFMUDRNPN-UHFFFAOYSA-N,
CS-M3489,
MFCD09260863,
ZINC17111364,
AS-54679,
methyl 4-amino-2-chloro-5-iodo-benzoate,
2-Chloro-4-amino-5-iodobenzoic acid methyl ester,
4-Amino-2-chloro-5-iodo-benzoic acid methyl ester,
Benzoic acid, 4-amino-2-chloro-5-iodo-, methyl ester,
CID11839203,
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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