| CAS Number | 450412-27-8 |
| Catalog Number | AG00DLLS(AGN-PC-0N2SXS) |
| Chemical Name | Ethyl 5-bromo-2-iodobenzoate |
| IUPAC Name | ethyl 5-bromo-2-iodobenzoate |
| InChI | InChI=1S/C9H8BrIO2/c1-2-13-9(12)7-5-6(10)3-4-8(7)11/h3-5H,2H2,1H3 |
| InChI Key | JWUQSSZXGVRFDZ-UHFFFAOYSA-N |
| MDL Number | MFCD12025359 |
| Molecular Formula | C9H8BrIO2 |
| Molecular Weight | 354.9671 |
| SMILES | O=C(OCC)C1=CC(Br)=CC=C1I |
| Synonyms | Ethyl 5-Bromo-2-iodobenzoate,
450412-27-8,
Benzoic acid, 5-bromo-2-iodo-, ethyl ester,
SCHEMBL1016603,
JWUQSSZXGVRFDZ-UHFFFAOYSA-N,
MFCD12025359,
ZINC38543270,
AKOS017265510,
3-Bromo-6-iodobenzoic acid ethyl ester,
5-bromo-2-iodo-benzoic acid ethyl ester,
AS-43129,
FT-0703426,
Ethyl 5-bromo-2-iodo-benzoate,
CID10338259,
|
| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 353.875g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 354.969g/mol |
| Monoisotopic Mass | 353.875g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number