| CAS Number | 23062-51-3 |
| Catalog Number | AG002M3A(AGN-PC-0WAMJE) |
| Chemical Name | Methyl 4-Bromobicyclo[2.2.2]octane-1-carboxylate |
| IUPAC Name | methyl 4-bromobicyclo[2.2.2]octane-1-carboxylate |
| InChI | InChI=1S/C10H15BrO2/c1-13-8(12)9-2-5-10(11,6-3-9)7-4-9/h2-7H2,1H3 |
| InChI Key | QPKJFWIGJBWLTB-UHFFFAOYSA-N |
| MDL Number | MFCD22577785 |
| Molecular Formula | C10H15BrO2 |
| Molecular Weight | 247.1289 |
| SMILES | C(=O)(OC)C12CCC(CC1)(CC2)Br |
| Synonyms | methyl 4-bromobicyclo[2.2.2]octane-1-carboxylate,
23062-51-3,
SCHEMBL204114,
QPKJFWIGJBWLTB-UHFFFAOYSA-N,
MFCD22577785,
ZINC85399492,
AKOS027338952,
KS-000008U1,
AK341428,
DS-12274,
SY037181,
MFCD22577785 (95%),
4-bromo-bicyclo[2.2.2]octane-1-carboxylic acid methyl ester,
Bicyclo[2.2.2]octane-1-carboxylic acid, 4-bromo-, methyl ester,
|
| Complexity | 213 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.132g/mol |
| Monoisotopic Mass | 246.026g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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-H319-H335
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Packing Group
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\N
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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\N
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Certificate of Analysis
Lot Number