| CAS Number | 444-13-3 |
| Catalog Number | AG00I8F7(AGN-PC-0WOMWT) |
| Chemical Name | 3,5-Dibromo-4-fluorotoluene |
| IUPAC Name | 1,3-dibromo-2-fluoro-5-methylbenzene |
| InChI | InChI=1S/C7H5Br2F/c1-4-2-5(8)7(10)6(9)3-4/h2-3H,1H3 |
| InChI Key | SRXPLJYKMAEZKI-UHFFFAOYSA-N |
| MDL Number | MFCD01025611 |
| Molecular Formula | C7H5Br2F |
| Molecular Weight | 267.9210 |
| SMILES | BrC=1C=C(C=C(C1F)Br)C |
| Synonyms | 3,5-Dibromo-4-fluorotoluene,
444-13-3,
1,3-dibromo-2-fluoro-5-methylbenzene,
BAS 00529545,
AC1LFJR0,
4-fluoro-3,5-dibromotoluene,
SCHEMBL14498187,
ZINC312606,
AKOS000664222,
1,3-Dibromo-2-fluoro-5-methyl-benzene,
1,?3-Dibromo-?2-?fluoro-?5-?methylbenzene,
CID804097,
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| Complexity | 106 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.872g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.923g/mol |
| Monoisotopic Mass | 265.874g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
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Certificate of Analysis
Lot Number