| CAS Number | 709025-22-9 |
| Catalog Number | AG00FLQS(AGN-PC-0WD5LN) |
| Chemical Name | 1-(4-Bromo-2-methylphenyl)propan-1-one |
| IUPAC Name | 1-(4-bromo-2-methylphenyl)propan-1-one |
| InChI | InChI=1S/C10H11BrO/c1-3-10(12)9-5-4-8(11)6-7(9)2/h4-6H,3H2,1-2H3 |
| InChI Key | YWWIROVCDVQEGO-UHFFFAOYSA-N |
| MDL Number | MFCD11847400 |
| Molecular Formula | C10H11BrO |
| Molecular Weight | 227.0977 |
| SMILES | CCC(C1=CC=C(Br)C=C1C)=O |
| Synonyms | 1-(4-BROMO-2-METHYLPHENYL)PROPAN-1-ONE,
709025-22-9,
SCHEMBL1922044,
4'-Bromo-2'-methylpropiophenone,
YWWIROVCDVQEGO-UHFFFAOYSA-N,
ZINC49820616,
AKOS022188972,
SC-32569,
AJ-111462,
1-(4-Bromo-2-methyl-phenyl)-propan-1-one,
FT-0764558,
A1-07983,
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| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.101g/mol |
| Monoisotopic Mass | 225.999g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
Lot Number