| CAS Number | 26825-95-6 |
| Catalog Number | AG00I52K(AGN-PC-0NELF1) |
| Chemical Name | Methyl 12-bromododecanoate |
| IUPAC Name | methyl 12-bromododecanoate |
| InChI | InChI=1S/C13H25BrO2/c1-16-13(15)11-9-7-5-3-2-4-6-8-10-12-14/h2-12H2,1H3 |
| InChI Key | QNXOHINFQALBQN-UHFFFAOYSA-N |
| MDL Number | MFCD01838179 |
| Molecular Formula | C13H25BrO2 |
| Molecular Weight | 293.2404 |
| SMILES | C(CCC(=O)OC)CCCCCCCCBr |
| Synonyms | Methyl 12-bromododecanoate,
26825-95-6,
12-Bromododecanoic Acid Methyl Ester,
Methyl12-Bromododecanoate,
SCHEMBL4006166,
QNXOHINFQALBQN-UHFFFAOYSA-N,
KS-00000BX2,
ZINC5719867,
MFCD01838179,
AKOS024456041,
SS-4946,
AK544508,
DA-07492,
SY038725,
Dodecanoic acid, 12-bromo-, methyl ester,
FT-0718924,
MFCD01838179 (95%),
CID11022721,
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| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 292.104g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 293.245g/mol |
| Monoisotopic Mass | 292.104g/mol |
| Rotatable Bond Count | 12 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.1 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H312-H315-H319-H332-H335
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Packing Group
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Precautionary statements
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P261-P280-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number