| CAS Number | 1020253-12-6 |
| Catalog Number | AG0006D6(AGN-PC-0WBRAG) |
| Chemical Name | (4-Bromo-2-fluorophenyl)(4-methoxybenzyl)sulfane |
| IUPAC Name | 4-bromo-2-fluoro-1-[(4-methoxyphenyl)methylsulfanyl]benzene |
| InChI | InChI=1S/C14H12BrFOS/c1-17-12-5-2-10(3-6-12)9-18-14-7-4-11(15)8-13(14)16/h2-8H,9H2,1H3 |
| InChI Key | XDHSLAPCAYVIAB-UHFFFAOYSA-N |
| MDL Number | MFCD09972171 |
| Molecular Formula | C14H12BrFOS |
| Molecular Weight | 327.2119 |
| SMILES | COc1ccc(cc1)CSc1ccc(cc1F)Br |
| Synonyms | (4-BROMO-2-FLUOROPHENYL)(4-METHOXYBENZYL)SULFANE,
1020253-12-6,
C14H12BrFOS,
ACMC-2097zf,
CTK4A0597,
DTXSID10674397,
ANW-14617,
MFCD09972171,
ZINC38536978,
AKOS015835508,
RTR-000523,
TR-000523,
Z6484,
A-4172,
I01-10977,
4-bromo-2-fluoro-1-[(4-methoxyphenyl)methylsulfanyl]benzene,
4-Bromo-2-fluoro-1-{[(4-methoxyphenyl)methyl]sulfanyl}benzene,
Benzene, 4-bromo-2-fluoro-1-[[(4-methoxyphenyl)methyl]thio]-,
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| Complexity | 246 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 325.978g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 327.211g/mol |
| Monoisotopic Mass | 325.978g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 34.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number