| CAS Number | 1260790-69-9 |
| Catalog Number | AG000RA4(AGN-PC-0WNONE) |
| Chemical Name | Ethyl 2-amino-5-bromo-4-chlorobenzoate |
| IUPAC Name | ethyl 2-amino-5-bromo-4-chlorobenzoate |
| InChI | InChI=1S/C9H9BrClNO2/c1-2-14-9(13)5-3-6(10)7(11)4-8(5)12/h3-4H,2,12H2,1H3 |
| InChI Key | WSDPTZSINKNKBS-UHFFFAOYSA-N |
| MDL Number | MFCD16037362 |
| Molecular Formula | C9H9BrClNO2 |
| Molecular Weight | 278.5303 |
| SMILES | CCOC(C1=C(N)C=C(Cl)C(Br)=C1)=O |
| Synonyms | ETHYL 2-AMINO-5-BROMO-4-CHLOROBENZOATE,
1260790-69-9,
ZINC199817975,
FCH1391714,
SC-57555,
AX8277017,
Benzoic acid, 2-amino-5-bromo-4-chloro-, ethyl ester,
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| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 276.951g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.53g/mol |
| Monoisotopic Mass | 276.951g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
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Certificate of Analysis
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