| CAS Number | 908248-32-8 |
| Catalog Number | AG00IGB2(AGN-PC-0WD6XI) |
| Chemical Name | Methyl 4-bromo-2-chloro-5-fluorobenzoate |
| IUPAC Name | methyl 4-bromo-2-chloro-5-fluorobenzoate |
| InChI | InChI=1S/C8H5BrClFO2/c1-13-8(12)4-2-7(11)5(9)3-6(4)10/h2-3H,1H3 |
| InChI Key | STIGMHTZDYRUGA-UHFFFAOYSA-N |
| MDL Number | MFCD12913461 |
| Molecular Formula | C8H5BrClFO2 |
| Molecular Weight | 267.4795 |
| SMILES | O=C(OC)C1=CC(F)=C(Br)C=C1Cl |
| Synonyms | Methyl 4-bromo-2-chloro-5-fluorobenzoate,
908248-32-8,
SCHEMBL2771214,
STIGMHTZDYRUGA-UHFFFAOYSA-N,
ZINC97756819,
AKOS025286043,
methyl4-bromo-2-chloro-5-fluorobenzoate,
AK167213,
TL80090297,
Benzoic acid, 4-bromo-2-chloro-5-fluoro-, methyl ester,
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| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.915g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.478g/mol |
| Monoisotopic Mass | 265.915g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P280-P301+P312-P302+P352-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number