| CAS Number | 773136-66-6 |
| Catalog Number | AG00G5LU(AGN-PC-04RZF9) |
| Chemical Name | Ethyl-2-fluoro-5-iodobenzoate |
| IUPAC Name | ethyl 2-fluoro-5-iodobenzoate |
| InChI | InChI=1S/C9H8FIO2/c1-2-13-9(12)7-5-6(11)3-4-8(7)10/h3-5H,2H2,1H3 |
| InChI Key | GHRYAGFJSZGCAQ-UHFFFAOYSA-N |
| MDL Number | MFCD06204769 |
| Molecular Formula | C9H8FIO2 |
| Molecular Weight | 294.0615 |
| SMILES | CCOC(=O)c1cc(I)ccc1F |
| Synonyms | Ethyl 2-fluoro-5-iodobenzoate,
773136-66-6,
Ethyl-2-fluoro-5-iodobenzoate,
SCHEMBL4150684,
GHRYAGFJSZGCAQ-UHFFFAOYSA-N,
MFCD06204769,
ZINC21300180,
AKOS017560251,
2-fluoro-5-iodobenzoic acid ethyl ester,
AK194648,
DS-10433,
SC-48120,
TL8005309,
CS-0044520,
FT-0714727,
Benzoic acid, 2-fluoro-5-iodo-, ethyl ester,
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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 | 293.955g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 294.064g/mol |
| Monoisotopic Mass | 293.955g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number