| CAS Number | 831212-02-3 |
| Catalog Number | AG005A9C(AGN-PC-0KDPC1) |
| Chemical Name | 5-Bromo-2-butoxybenzyl alcohol |
| IUPAC Name | (5-bromo-2-butoxyphenyl)methanol |
| InChI | InChI=1S/C11H15BrO2/c1-2-3-6-14-11-5-4-10(12)7-9(11)8-13/h4-5,7,13H,2-3,6,8H2,1H3 |
| InChI Key | HUBPVKDHWIHMRU-UHFFFAOYSA-N |
| MDL Number | MFCD06626466 |
| Molecular Formula | C11H15BrO2 |
| Molecular Weight | 259.1396 |
| SMILES | CCCCOc1ccc(cc1CO)Br |
| Synonyms | 5-Bromo-2-butoxybenzyl alcohol,
831212-02-3,
(5-bromo-2-butoxyphenyl)methanol,
ACMC-209prc,
AC1M2ZXC,
CTK8B2376,
DTXSID90367098,
ZINC2876740,
ANW-37654,
KM2153,
MFCD06626466,
MCULE-9852066510,
TC-126399,
V7902,
C11H15BrO2,
ZINC02876740,
CID2229103,
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| Complexity | 152 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.143g/mol |
| Monoisotopic Mass | 258.026g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
Lot Number