| CAS Number | 14155-86-3 |
| Catalog Number | AG009CVY(AGN-PC-0JSM0X) |
| Chemical Name | 1-Bromo-5-methoxypentane |
| IUPAC Name | 1-bromo-5-methoxypentane |
| InChI | InChI=1S/C6H13BrO/c1-8-6-4-2-3-5-7/h2-6H2,1H3 |
| InChI Key | RGZWCZXZKRRAHL-UHFFFAOYSA-N |
| MDL Number | MFCD07780191 |
| Molecular Formula | C6H13BrO |
| Molecular Weight | 181.0708 |
| SMILES | COCCCCCBr |
| Synonyms | 1-Bromo-5-methoxypentane,
14155-86-3,
Pentane, 1-bromo-5-methoxy-,
RGZWCZXZKRRAHL-UHFFFAOYSA-N,
Ether, 5-bromopentyl methyl,
AC1LBUCO,
1-Bromo-5-methoxypentane #,
SCHEMBL922730,
CTK8G9329,
DTXSID40337387,
ZINC60712528,
AKOS011896329,
NE35362,
RP03220,
Y7509,
EN300-79845,
J-504457,
C6H13BrO,
CID542342,
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| Complexity | 39.5 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.073g/mol |
| Monoisotopic Mass | 180.015g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
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