| CAS Number | 117323-99-6 |
| Catalog Number | AG009KD4(AGN-PC-000SHO) |
| Chemical Name | Ethyl 2-amino-4-bromobenzoate |
| IUPAC Name | ethyl 2-amino-4-bromobenzoate |
| InChI | InChI=1S/C9H10BrNO2/c1-2-13-9(12)7-4-3-6(10)5-8(7)11/h3-5H,2,11H2,1H3 |
| InChI Key | NZNZIJUVSOCRDQ-UHFFFAOYSA-N |
| MDL Number | MFCD11042864 |
| Molecular Formula | C9H10BrNO2 |
| Molecular Weight | 244.0852 |
| SMILES | CCOC(C1=C(N)C=C(Br)C=C1)=O |
| Synonyms | ethyl 2-amino-4-bromobenzoate,
117323-99-6,
Benzoic acid, 2-amino-4-bromo-, ethyl ester,
SCHEMBL1188377,
NZNZIJUVSOCRDQ-UHFFFAOYSA-N,
MFCD11042864,
ZINC34254450,
2-amino-4-bromobenzoic acid ethyl ester,
AS-30321,
benzoic acid,2-amino-4-bromo-,ethyl ester,
FT-0708115,
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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 | 3.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number