| CAS Number | 690260-95-8 |
| Catalog Number | AG00FGYK(AGN-PC-0WNODQ) |
| Chemical Name | Ethyl 3-Amino-5-Bromobenzoate |
| IUPAC Name | ethyl 3-amino-5-bromobenzoate |
| InChI | InChI=1S/C9H10BrNO2/c1-2-13-9(12)6-3-7(10)5-8(11)4-6/h3-5H,2,11H2,1H3 |
| InChI Key | AGSSVQHQCFMXHB-UHFFFAOYSA-N |
| MDL Number | MFCD12923267 |
| Molecular Formula | C9H10BrNO2 |
| Molecular Weight | 244.0852 |
| SMILES | CCOC(C1=CC(Br)=CC(N)=C1)=O |
| Synonyms | ethyl 3-amino-5-bromobenzoate,
690260-95-8,
SCHEMBL2725407,
AGSSVQHQCFMXHB-UHFFFAOYSA-N,
MFCD12923267,
ZINC62350324,
AKOS012320683,
CJ-20914,
SY035162,
X5356,
MFCD12923267 (95%),
C9H10BrNO2,
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| Complexity | 187 |
| 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 | 3 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number