| CAS Number | 1261737-12-5 |
| Catalog Number | AG01C3SJ |
| Chemical Name | 2-Chloro-1,5-difluoro-3-methylbenzene |
| IUPAC Name | 2-chloro-1,5-difluoro-3-methylbenzene |
| InChI | InChI=1S/C7H5ClF2/c1-4-2-5(9)3-6(10)7(4)8/h2-3H,1H3 |
| InChI Key | HBEUDXXGXHOFFQ-UHFFFAOYSA-N |
| MDL Number | MFCD18415649 |
| Molecular Formula | C7H5ClF2 |
| Molecular Weight | 162.5644 |
| SMILES | CC1=C(Cl)C(F)=CC(F)=C1 |
| Synonyms | 2-chloro-1,5-difluoro-3-methylbenzene,
1261737-12-5,
2-Chloro-3,5-difluorotoluene,
SCHEMBL8237570,
AKOS027377302,
ZINC148598003,
Z2372316745,
|
| Complexity | 118 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 162.005g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 162.564g/mol |
| Monoisotopic Mass | 162.005g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
Lot Number