| Canonical Smiles | CO[Si](C1=CC=C(C=C1)Br)(OC)OC |
|---|---|
| IUPAC Name | (4-bromophenyl)-trimethoxysilane |
| InChIKey | BRXDAEMGSYZHGK-UHFFFAOYSA-N |
| INCHI | 1S/C9H13BrO3Si/c1-11-14(12-2,13-3)9-6-4-8(10)5-7-9/h4-7H,1-3H3 |
| Isomeric SMILES | CO[Si](C1=CC=C(C=C1)Br)(OC)OC |
| PubChem CID | 14993398 |
| Molecular Weight | 277.189 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organometallic compounds |
| Class | Organometalloid compounds |
| Subclass | Organosilicon compounds |
| Intermediate Tree Nodes | Alkoxysilanes |
| Direct Parent | Trialkoxysilanes |
| Alternative Parents | Bromobenzenes Aryl bromides Silyl ethers Organoheterosilanes Organic metalloid salts Organooxygen compounds Organobromides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Trialkoxysilane - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Silyl ether - Organoheterosilane - Organic metalloid salt - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organohalogen compound - Organobromide - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as trialkoxysilanes. These are organosilicon compounds with the general formula RO[Si](R')(OR'')OR''' (R-R''' = aliphatic organyl group). |
| External Descriptors | Not available |
| Boil Point(°C) | 136° |
|---|---|
| Molecular Weight | 277.190 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 275.982 Da |
| Monoisotopic Mass | 275.982 Da |
| Topological Polar Surface Area | 27.700 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 159.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
