| CAS Number | 929974-59-4 |
| Catalog Number | AG00GUSX(AGN-PC-0WOKHU) |
| Chemical Name | 3-Bromo-5-chloro-2-ethoxyaniline |
| IUPAC Name | 3-bromo-5-chloro-2-ethoxyaniline |
| InChI | InChI=1S/C8H9BrClNO/c1-2-12-8-6(9)3-5(10)4-7(8)11/h3-4H,2,11H2,1H3 |
| InChI Key | MDEFOEROVTUFGV-UHFFFAOYSA-N |
| MDL Number | MFCD08729234 |
| Molecular Formula | C8H9BrClNO |
| Molecular Weight | 250.5202 |
| SMILES | CCOC1=C(Br)C=C(Cl)C=C1N |
| Synonyms | 3-bromo-5-chloro-2-ethoxyaniline,
929974-59-4,
AC1Q35H0,
CTK6G0233,
MFCD08729234,
ZINC12505265,
AKOS005357288,
MCULE-3367593033,
NE43908,
CJ-14144,
V9248,
EN300-26640,
Z271099594,
C8H9BrClNO,
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| Complexity | 147 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.956g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.52g/mol |
| Monoisotopic Mass | 248.956g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number