| CAS Number | 1178634-57-5 |
| Catalog Number | AG01A807 |
| Chemical Name | propyl 2-amino-5-bromobenzoate |
| IUPAC Name | propyl 2-amino-5-bromobenzoate |
| InChI | InChI=1S/C10H12BrNO2/c1-2-5-14-10(13)8-6-7(11)3-4-9(8)12/h3-4,6H,2,5,12H2,1H3 |
| InChI Key | RZNWHBKKKOQGIW-UHFFFAOYSA-N |
| MDL Number | MFCD12149109 |
| Molecular Formula | C10H12BrNO2 |
| Molecular Weight | 258.1118 |
| SMILES | CCCOC(C1=C(N)C=CC(Br)=C1)=O |
| Synonyms | propyl 2-amino-5-bromobenzoate,
1178634-57-5,
AC1Q2Y74,
CTK6E5575,
ZINC37396310,
AKOS009165725,
MCULE-9382944361,
NE40458,
EN300-60326,
Z291377278,
|
| Complexity | 199 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.005g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.115g/mol |
| Monoisotopic Mass | 257.005g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number