| CAS Number | 1261476-50-9 |
| Catalog Number | AG00HIYA(AGN-PC-0WNPME) |
| Chemical Name | 2-Bromo-4-chloro-1-(difluoromethyl)benzene |
| IUPAC Name | 2-bromo-4-chloro-1-(difluoromethyl)benzene |
| InChI | InChI=1S/C7H4BrClF2/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3,7H |
| InChI Key | ZNEQJQZXIMENQW-UHFFFAOYSA-N |
| MDL Number | MFCD18391081 |
| Molecular Formula | C7H4BrClF2 |
| Molecular Weight | 241.4605 |
| SMILES | Clc1ccc(c(c1)Br)C(F)F |
| Synonyms | 2-bromo-4-chloro-1-(difluoromethyl)benzene,
1261476-50-9,
Benzene, 2-bromo-4-chloro-1-(difluoromethyl)-,
SCHEMBL616436,
ZNEQJQZXIMENQW-UHFFFAOYSA-N,
MFCD18391081,
AKOS023601036,
ZINC107267801,
3-Bromo-4-(difluoromethyl)chlorobenzene,
AS-36862,
A1-09360,
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| Complexity | 132 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.915g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.46g/mol |
| Monoisotopic Mass | 239.915g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
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Certificate of Analysis
Lot Number