| CAS Number | 1267167-02-1 |
| Catalog Number | AG000T4T(AGN-PC-0WA269) |
| Chemical Name | (4-Bromo-3-methylphenyl)(cyclopropyl)methanone |
| IUPAC Name | (4-bromo-3-methylphenyl)-cyclopropylmethanone |
| InChI | InChI=1S/C11H11BrO/c1-7-6-9(4-5-10(7)12)11(13)8-2-3-8/h4-6,8H,2-3H2,1H3 |
| InChI Key | XJPNKCPSLVJPCM-UHFFFAOYSA-N |
| MDL Number | MFCD19237231 |
| Molecular Formula | C11H11BrO |
| Molecular Weight | 239.1084 |
| SMILES | O=C(c1ccc(c(c1)C)Br)C1CC1 |
| Synonyms | (4-Bromo-3-methylphenyl)(cyclopropyl)methanone,
1267167-02-1,
ACMC-209bbm,
CTK8A9931,
DTXSID80718196,
ANW-18944,
MFCD19237231,
ZINC49829488,
AKOS015909665,
AM90035,
AJ-111476,
TC-107689,
Z9337,
A-2877,
Methanone, (4-bromo-3-methylphenyl)cyclopropyl-,
I14-31357,
C11H11BrO,
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| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.112g/mol |
| Monoisotopic Mass | 237.999g/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