| CAS Number | 1266996-84-2 |
| Catalog Number | AG000T48(AGN-PC-0WNR0C) |
| Chemical Name | 1-(4-Bromo-3-methylphenyl)butan-1-one |
| IUPAC Name | 1-(4-bromo-3-methylphenyl)butan-1-one |
| InChI | InChI=1S/C11H13BrO/c1-3-4-11(13)9-5-6-10(12)8(2)7-9/h5-7H,3-4H2,1-2H3 |
| InChI Key | ZIQTVVDEDLNVKS-UHFFFAOYSA-N |
| MDL Number | MFCD19237229 |
| Molecular Formula | C11H13BrO |
| Molecular Weight | 241.1243 |
| SMILES | CCCC(=O)c1ccc(c(c1)C)Br |
| Synonyms | 1-(4-Bromo-3-methylphenyl)butan-1-one,
1266996-84-2,
ACMC-209bbj,
CTK8A9929,
DTXSID00716654,
ANW-18941,
MFCD19237229,
ZINC49830393,
AKOS015908096,
1-Butanone, 1-(4-bromo-3-methylphenyl)-,
AJ-111481,
TC-107686,
Z9334,
A-2884,
I14-24619,
C11H13BrO,
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| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.128g/mol |
| Monoisotopic Mass | 240.015g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number