| CAS Number | 1423037-45-9 |
| Catalog Number | AG009X5Z(AGN-PC-0WAD40) |
| Chemical Name | Ethyl 3-amino-5-bromo-4-(methylamino)benzoate |
| IUPAC Name | ethyl 3-amino-5-bromo-4-(methylamino)benzoate |
| InChI | InChI=1S/C10H13BrN2O2/c1-3-15-10(14)6-4-7(11)9(13-2)8(12)5-6/h4-5,13H,3,12H2,1-2H3 |
| InChI Key | UDKKTELJVVIKFP-UHFFFAOYSA-N |
| MDL Number | MFCD23135969 |
| Molecular Formula | C10H13BrN2O2 |
| Molecular Weight | 273.1264 |
| SMILES | CCOC(=O)c1cc(N)c(c(c1)Br)NC |
| Synonyms | ETHYL 3-AMINO-5-BROMO-4-(METHYLAMINO)BENZOATE,
1423037-45-9,
KM5729,
ZINC95496084,
V3196,
C10H13BrN2O2,
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| Complexity | 226 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.016g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.13g/mol |
| Monoisotopic Mass | 272.016g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number