| CAS Number | 1242258-38-3 |
| Catalog Number | AG000LON(AGN-PC-0WCC71) |
| Chemical Name | Benzene, 1-bromo-4-(difluoromethoxy)-2-fluoro- |
| IUPAC Name | 1-bromo-4-(difluoromethoxy)-2-fluorobenzene |
| InChI | InChI=1S/C7H4BrF3O/c8-5-2-1-4(3-6(5)9)12-7(10)11/h1-3,7H |
| InChI Key | QWUYTYZPBMAYKP-UHFFFAOYSA-N |
| MDL Number | MFCD18390897 |
| Molecular Formula | C7H4BrF3O |
| Molecular Weight | 241.0053 |
| SMILES | FC1=CC(OC(F)F)=CC=C1Br |
| Synonyms | 1242258-38-3,
1-bromo-4-(difluoromethoxy)-2-fluorobenzene,
MFCD18390897,
4-(Difluoromethoxy)-2-fluorobromobenzene,
Benzene,1-bromo-4-(difluoromethoxy)-2-fluoro-,
SCHEMBL2014335,
QWUYTYZPBMAYKP-UHFFFAOYSA-N,
ZINC83576908,
AKOS014537297,
2-Bromo-5-(difluoromethoxy)fluorobenzene,
AS-48081,
1-Bromo-4-difluoromethoxy-2-fluorobenzene,
1-Bromo-4-difluoromethoxy-2-fluoro-benzene,
1-Bromo-4-(difluoromethoxy)-2-fluoro-benzene,
Benzene, 1-bromo-4-(difluoromethoxy)-2-fluoro-,
A1-06776,
Z1925961452,
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| Complexity | 145 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.94g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.007g/mol |
| Monoisotopic Mass | 239.94g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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