| CAS Number | 1451-83-8 |
| Catalog Number | AG001KKF(AGN-PC-0PWQK7) |
| Chemical Name | 2-Bromo-1-(3-methylphenyl)-1-propanone |
| IUPAC Name | 2-bromo-1-(3-methylphenyl)propan-1-one |
| InChI | InChI=1S/C10H11BrO/c1-7-4-3-5-9(6-7)10(12)8(2)11/h3-6,8H,1-2H3 |
| InChI Key | QGGNDYQVUDZPJB-UHFFFAOYSA-N |
| MDL Number | MFCD12031565 |
| Molecular Formula | C10H11BrO |
| Molecular Weight | 227.0977 |
| SMILES | Cc1cccc(c1)C(=O)C(C)Br |
| Synonyms | 1451-83-8,
2-Bromo-1-(3-methylphenyl)propan-1-one,
2-bromo-3'-methylpropiophenone,
1-Propanone, 2-bromo-1-(3-methylphenyl)-,
2-bromo-3-methylpropiophenone,
2-Bromo-1-(m-tolyl)propan-1-one,
ACMC-209cuc,
SCHEMBL634070,
DTXSID50609264,
QGGNDYQVUDZPJB-UHFFFAOYSA-N,
ANW-20914,
MFCD12031565,
AKOS016008623,
TC-109659,
V3354,
C10H11BrO,
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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 | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
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