| CAS Number | 936249-94-4 |
| Catalog Number | AG00GV04 |
| Chemical Name | 2-Bromo-1-difluoromethoxy-4-fluoro-benzene |
| IUPAC Name | 2-bromo-1-(difluoromethoxy)-4-fluorobenzene |
| InChI | InChI=1S/C7H4BrF3O/c8-5-3-4(9)1-2-6(5)12-7(10)11/h1-3,7H |
| InChI Key | OQANLAKJTFXSQM-UHFFFAOYSA-N |
| MDL Number | MFCD09935620 |
| Molecular Formula | C7H4BrF3O |
| Molecular Weight | 241.0053 |
| SMILES | c1(ccc(c(c1)Br)OC(F)F)F |
| Synonyms | 936249-94-4,
2-BROMO-1-(DIFLUOROMETHOXY)-4-FLUOROBENZENE,
2-Bromo-1-difluoromethoxy-4-fluoro-benzene,
2-(Difluoromethoxy)-5-fluorobromobenzene,
SCHEMBL1438674,
CTK5H2725,
DTXSID70640811,
OQANLAKJTFXSQM-UHFFFAOYSA-N,
MFCD09935620,
ZINC19471166,
AKOS000177964,
MCULE-8851767991,
NE17325,
3-Bromo-4-(difluoromethoxy)fluorobenzene,
AK326847,
PS-11657,
SC-31507,
3-bromo-4-(difluoromethoxy)-1-fluorobenzene,
Z55672060,
2-bromo-1-(difluoromethoxy)-4-fluorobenzene, 95% - 1G 1g,
|
| 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
| Symbol: |  |
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Hazard Class
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\N
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Hazard statements
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H302-H315-H320-H335
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Packing Group
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\N
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Precautionary statements
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P264-P270-P301+P312-P330
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UN Code
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\N
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Certificate of Analysis
Lot Number