| CAS Number | 117738-81-5 |
| Catalog Number | AG0170NF(AGN-PC-08UYIH) |
| Chemical Name | 4-Bromo-3,5-dichloro-benzoic acid methyl ester |
| IUPAC Name | methyl 4-bromo-3,5-dichlorobenzoate |
| InChI | InChI=1S/C8H5BrCl2O2/c1-13-8(12)4-2-5(10)7(9)6(11)3-4/h2-3H,1H3 |
| InChI Key | OLCZJLAQCXIXNW-UHFFFAOYSA-N |
| MDL Number | MFCD14704248 |
| Molecular Formula | C8H5BrCl2O2 |
| Molecular Weight | 283.9341 |
| SMILES | COC(=O)C1=CC(=C(C(=C1)Cl)Br)Cl |
| Synonyms | methyl 4-bromo-3,5-dichlorobenzoate,
117738-81-5,
4-Bromo-3,5-dichloro-benzoic acid methyl ester,
SCHEMBL8336289,
OLCZJLAQCXIXNW-UHFFFAOYSA-N,
ZINC45919825,
AKOS005061384,
AK478602,
Benzoic acid, 4-bromo-3,5-dichloro-, methyl ester,
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| Complexity | 189 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 281.885g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 283.93g/mol |
| Monoisotopic Mass | 281.885g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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