| CAS Number | 50735-03-0 |
| Catalog Number | AG006W63(AGN-PC-05CW3W) |
| Chemical Name | 2-Bromo-3-methyl-1-phenylbutan-1-one |
| IUPAC Name | 2-bromo-3-methyl-1-phenylbutan-1-one |
| InChI | InChI=1S/C11H13BrO/c1-8(2)10(12)11(13)9-6-4-3-5-7-9/h3-8,10H,1-2H3 |
| InChI Key | UCCCJNBTIJWCPF-UHFFFAOYSA-N |
| MDL Number | MFCD10000559 |
| Molecular Formula | C11H13BrO |
| Molecular Weight | 241.1243 |
| SMILES | CC(C(C(C1=CC=CC=C1)=O)Br)C |
| Synonyms | 2-bromo-3-methyl-1-phenylbutan-1-one,
50735-03-0,
1-Butanone, 2-bromo-3-methyl-1-phenyl-,
AC1Q1NZM,
SCHEMBL2026667,
CTK4J3067,
DTXSID50446136,
UCCCJNBTIJWCPF-UHFFFAOYSA-N,
alpha-Bromo-beta-methylbutyrophenone,
AKOS000210997,
AKOS022179034,
2-bromo-3-methyl-1-phenyl-1-butanone,
EN300-42834,
CID10857618,
2-bromo-3-methyl-1-phenyl-butan-1-one,
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| Complexity | 171 |
| 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 | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number