| CAS Number | 210228-01-6 |
| Catalog Number | AG002KN1(AGN-PC-03ODJK) |
| Chemical Name | 1-(4-Bromo-3-methylphenyl)-1-propanone
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| IUPAC Name | 1-(4-bromo-3-methylphenyl)propan-1-one |
| InChI | InChI=1S/C10H11BrO/c1-3-10(12)8-4-5-9(11)7(2)6-8/h4-6H,3H2,1-2H3 |
| InChI Key | GNIQKPLAEAAAPD-UHFFFAOYSA-N |
| MDL Number | MFCD18392258 |
| Molecular Formula | C10H11BrO |
| Molecular Weight | 227.0977 |
| SMILES | C(=O)(CC)c1cc(C)c(Br)cc1 |
| Synonyms | 1-(4-Bromo-3-methylphenyl)propan-1-one,
210228-01-6,
1-Propanone, 1-(4-bromo-3-methylphenyl)-,
ACMC-209fgs,
SCHEMBL770793,
CTK8B1178,
4'-Bromo-3'-methylpropiophenone,
DTXSID70625062,
GNIQKPLAEAAAPD-UHFFFAOYSA-N,
ANW-24314,
MFCD18392258,
ZINC49820617,
AKOS002392969,
1-(3-Methyl-4-bromophenyl)-1-propanone,
AJ-111463,
TC-113059,
V4296,
A-3193,
I14-24618,
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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number