| CAS Number | 1114809-13-0 |
| Catalog Number | AG0094FQ(AGN-PC-0WD06T) |
| Chemical Name | 3-Bromo-2-chloro-6-fluorobenzoic acid |
| IUPAC Name | 3-bromo-2-chloro-6-fluorobenzoic acid |
| InChI | InChI=1S/C7H3BrClFO2/c8-3-1-2-4(10)5(6(3)9)7(11)12/h1-2H,(H,11,12) |
| InChI Key | BPKBUPFQEALBFX-UHFFFAOYSA-N |
| MDL Number | MFCD11856020 |
| Molecular Formula | C7H3BrClFO2 |
| Molecular Weight | 253.4529 |
| SMILES | C1=CC(=C(C(=C1Br)Cl)C(=O)O)F |
| Synonyms | 3-Bromo-2-chloro-6-fluorobenzoic acid,
1114809-13-0,
SCHEMBL14660959,
BPKBUPFQEALBFX-UHFFFAOYSA-N,
MFCD11856020,
ZINC90411244,
AKOS022181364,
FCH1406910,
PC53025,
AS-19678,
AJ-128607,
ST24041836,
Y3675,
Q-8856,
AS-813/43501888,
C7H3BrClFO2,
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| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.899g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.451g/mol |
| Monoisotopic Mass | 251.899g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number