| CAS Number | 1630906-97-6 |
| Catalog Number | AG001TQP(AGN-PC-0WCXDW) |
| Chemical Name | 5-(2-bromoethyl)-1,3-difluoro-2-methoxybenzene |
| IUPAC Name | 5-(2-bromoethyl)-1,3-difluoro-2-methoxybenzene |
| InChI | InChI=1S/C9H9BrF2O/c1-13-9-7(11)4-6(2-3-10)5-8(9)12/h4-5H,2-3H2,1H3 |
| InChI Key | VUJHTLHJEBCCIJ-UHFFFAOYSA-N |
| MDL Number | MFCD27988081 |
| Molecular Formula | C9H9BrF2O |
| Molecular Weight | 251.0680 |
| SMILES | COc1c(F)cc(CCBr)cc1F |
| Synonyms | 5-(2-bromoethyl)-1,3-difluoro-2-methoxybenzene,
1630906-97-6,
MFCD27988081,
ZINC169796283,
FCH2516274,
SB21862,
KS-0000083F,
AK171808,
AS-52150,
CS-0050776,
Benzene, 5-(2-bromoethyl)-1,3-difluoro-2-methoxy-,
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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 | 249.98g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.071g/mol |
| Monoisotopic Mass | 249.98g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H320-H335
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Packing Group
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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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Certificate of Analysis
Lot Number