| CAS Number | 864293-46-9 |
| Catalog Number | AG00IE2D(AGN-PC-09UQZ6) |
| Chemical Name | Methyl 2-amino-3-bromo-5-fluorobenzoate |
| IUPAC Name | methyl 2-amino-3-bromo-5-fluorobenzoate |
| InChI | InChI=1S/C8H7BrFNO2/c1-13-8(12)5-2-4(10)3-6(9)7(5)11/h2-3H,11H2,1H3 |
| InChI Key | PVUADFGTWZCZTQ-UHFFFAOYSA-N |
| MDL Number | MFCD12159945 |
| Molecular Formula | C8H7BrFNO2 |
| Molecular Weight | 248.0491 |
| SMILES | COC(C1=C(N)C(Br)=CC(F)=C1)=O |
| Synonyms | methyl 2-amino-3-bromo-5-fluorobenzoate,
864293-46-9,
SCHEMBL8188265,
ZINC37475519,
AKOS010054452,
MCULE-5541275043,
NE22151,
EN300-82908,
Benzoic acid, 2-amino-3-bromo-5-fluoro-, methyl ester,
Z1255523296,
|
| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.964g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.051g/mol |
| Monoisotopic Mass | 246.964g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number