| CAS Number | 1824597-08-1 |
| Catalog Number | AG01EL7A |
| Chemical Name | Methyl 2-amino-5-bromo-4-methylbenzoate |
| IUPAC Name | methyl 2-amino-5-bromo-4-methylbenzoate |
| InChI | InChI=1S/C9H10BrNO2/c1-5-3-8(11)6(4-7(5)10)9(12)13-2/h3-4H,11H2,1-2H3 |
| InChI Key | CSKVISIFXYJBGB-UHFFFAOYSA-N |
| MDL Number | MFCD23379700 |
| Molecular Formula | C9H10BrNO2 |
| Molecular Weight | 244.0852 |
| SMILES | O=C(OC)C1=CC(Br)=C(C)C=C1N |
| Synonyms | Methyl 2-amino-5-bromo-4-methylbenzoate,
1824597-08-1,
SCHEMBL17792409,
MFCD23379700,
AKOS030629210,
ZINC238338757,
FCH2318380,
AS-43292,
AX8275583,
N/A,
|
| Complexity | 198 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.989g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.088g/mol |
| Monoisotopic Mass | 242.989g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number