| CAS Number | 76008-74-7 |
| Catalog Number | AG00ICOR(AGN-PC-03JDVS) |
| Chemical Name | Ethyl 4-bromo-2-chlorobenzoate |
| IUPAC Name | ethyl 4-bromo-2-chlorobenzoate |
| InChI | InChI=1S/C9H8BrClO2/c1-2-13-9(12)7-4-3-6(10)5-8(7)11/h3-5H,2H2,1H3 |
| InChI Key | HOKHTTHZNDQNPY-UHFFFAOYSA-N |
| MDL Number | MFCD10000926 |
| Molecular Formula | C9H8BrClO2 |
| Molecular Weight | 263.5156 |
| SMILES | O=C(OCC)C1=CC=C(Br)C=C1Cl |
| Synonyms | Ethyl 4-bromo-2-chlorobenzoate,
76008-74-7,
ethyl 2-chloro-4-bromobenzoate,
SCHEMBL3846563,
HOKHTTHZNDQNPY-UHFFFAOYSA-N,
MFCD10000926,
ZINC37367600,
AS03687,
4-Bromo-2-chlorobenzoic acid ethyl ester,
AJ-93812,
4-Bromo-2-chloro-benzoic acid ethyl ester,
benzoic acid,4-bromo-2-chloro-,ethyl ester,
FT-0726593,
Benzoic acid, 4-bromo-2-chloro-, ethyl ester,
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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 | 261.94g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.515g/mol |
| Monoisotopic Mass | 261.94g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number