| CAS Number | 1036724-61-4 |
| Catalog Number | AG0085GP(AGN-PC-0WALL2) |
| Chemical Name | 1-Bromo-2-fluoro-4-isopropoxybenzene |
| IUPAC Name | 1-bromo-2-fluoro-4-propan-2-yloxybenzene |
| InChI | InChI=1S/C9H10BrFO/c1-6(2)12-7-3-4-8(10)9(11)5-7/h3-6H,1-2H3 |
| InChI Key | AKLUAOGEXFDAFW-UHFFFAOYSA-N |
| MDL Number | MFCD17011997 |
| Molecular Formula | C9H10BrFO |
| Molecular Weight | 233.0775 |
| SMILES | CC(OC1=CC=C(Br)C(F)=C1)C |
| Synonyms | 1-Bromo-2-fluoro-4-isopropoxybenzene,
1036724-61-4,
SCHEMBL4932356,
CTK8B9066,
DTXSID80726554,
ANW-61927,
MFCD17011997,
ZINC82049862,
AKOS014536756,
AJ-125032,
TC-150672,
1-Bromo-2-fluoro-4-(1-methylethoxy)benzene,
FT-0751442,
ST24037854,
Y3572,
Q-7243,
1-Bromo-2-fluoro-4-[(propan-2-yl)oxy]benzene,
C9H10BrFO,
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| Complexity | 141 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.08g/mol |
| Monoisotopic Mass | 231.99g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P264-P270-P271-P280-P301+P312+P330-P302+P352-P304+P340+P312-P305+P351+P338-P337+P313-P362-P403+P233-P405-P501
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UN Code
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Certificate of Analysis
Lot Number