| CAS Number | 30418-76-9 |
| Catalog Number | AG00302K(AGN-PC-0NJZJU) |
| Chemical Name | 1-Bromo-3-(tert-butoxy)propane |
| IUPAC Name | 2-(3-bromopropoxy)-2-methylpropane |
| InChI | InChI=1S/C7H15BrO/c1-7(2,3)9-6-4-5-8/h4-6H2,1-3H3 |
| InChI Key | ZEABOJSSUMGQAH-UHFFFAOYSA-N |
| MDL Number | MFCD11164592 |
| Molecular Formula | C7H15BrO |
| Molecular Weight | 195.0974 |
| SMILES | CC(OCCCBr)(C)C |
| Synonyms | 1-bromo-3-(tert-butoxy)propane,
30418-76-9,
1-bromo-3-t-butoxypropane,
1-Bromo-3-tert-butoxypropane,
SCHEMBL891630,
3-(tert-Butoxy)propyl bromide,
3-Bromopropyl tert-butyl ether,
CTK1C0411,
DTXSID10507636,
ZEABOJSSUMGQAH-UHFFFAOYSA-N,
ZINC36723993,
AKOS000278331,
NE55506,
Propane, 2-(3-bromopropoxy)-2-methyl-,
Propane, 1-bromo-3-(1,1-dimethylethoxy)-,
2-(3-bromopropoxy)-2-methylpropane,
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| Complexity | 65.8 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.1g/mol |
| Monoisotopic Mass | 194.031g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number