| CAS Number | 1032668-56-6 |
| Catalog Number | AG00HA0J |
| Chemical Name | Ethyl 2-amino-5-bromo-3-methylbenzoate |
| IUPAC Name | ethyl 2-amino-5-bromo-3-methylbenzoate |
| InChI | InChI=1S/C10H12BrNO2/c1-3-14-10(13)8-5-7(11)4-6(2)9(8)12/h4-5H,3,12H2,1-2H3 |
| InChI Key | HJJPKQZMXXGRBW-UHFFFAOYSA-N |
| MDL Number | MFCD12159932 |
| Molecular Formula | C10H12BrNO2 |
| Molecular Weight | 258.1118 |
| SMILES | O=C(OCC)C1=CC(Br)=CC(C)=C1N |
| Synonyms | ethyl 2-amino-5-bromo-3-methylbenzoate,
1032668-56-6,
SCHEMBL12326380,
HJJPKQZMXXGRBW-UHFFFAOYSA-N,
ZINC37475494,
AKOS010056595,
MCULE-3231978381,
NE45711,
DA-34344,
FT-0721362,
EN300-77511,
2-Amino-5-bromo-3-methyl-benzoic acid ethyl ester,
Z1189722606,
|
| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.00514g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.11g/mol |
| Monoisotopic Mass | 257.00514g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.3Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number