| CAS Number | 119916-05-1 |
| Catalog Number | AG0098MS(AGN-PC-023DCO) |
| Chemical Name | Methyl 3-amino-4,6-dibromo-2-methylbenzoate |
| EC Number | 425-190-6 |
| IUPAC Name | methyl 3-amino-4,6-dibromo-2-methylbenzoate |
| InChI | InChI=1S/C9H9Br2NO2/c1-4-7(9(13)14-2)5(10)3-6(11)8(4)12/h3H,12H2,1-2H3 |
| InChI Key | RIVNCZOVJBGLIT-UHFFFAOYSA-N |
| MDL Number | MFCD25292821 |
| Molecular Formula | C9H9Br2NO2 |
| Molecular Weight | 322.9813 |
| SMILES | COC(=O)C1=C(Br)C=C(Br)C(N)=C1C |
| Synonyms | METHYL 3-AMINO-4,6-DIBROMO-2-METHYLBENZOATE,
119916-05-1,
SCHEMBL8116715,
MFCD25292821,
ZINC78963001,
METHYL 3-AMINO-4,6-DIBROMO-O-TOLUATE,
3-Amino-4,6-dibromo-2-methylbenzoic acid methyl ester,
|
| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 322.898g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 322.984g/mol |
| Monoisotopic Mass | 320.9g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number