| CAS Number | 66790-62-3 |
| Catalog Number | AG00FHNL(AGN-PC-0WR455) |
| Chemical Name | 4-Bromo-5-methyl-2,3-dihydro-1H-inden-1-one |
| IUPAC Name | 4-bromo-5-methyl-2,3-dihydroinden-1-one |
| InChI | InChI=1S/C10H9BrO/c1-6-2-3-7-8(10(6)11)4-5-9(7)12/h2-3H,4-5H2,1H3 |
| InChI Key | RIWFVJCTIBYGJH-UHFFFAOYSA-N |
| MDL Number | MFCD18208175 |
| Molecular Formula | C10H9BrO |
| Molecular Weight | 225.0819 |
| SMILES | O=C1CCC2=C1C=CC(C)=C2Br |
| Synonyms | 4-Bromo-5-methyl-2,3-dihydro-1H-inden-1-one,
66790-62-3,
4-bromo-5-Methylindan-1-one,
SCHEMBL17056471,
KS-00000TQ9,
MFCD18208175,
AKOS030632754,
ZINC238486898,
AK544512,
AS-55186,
4-bromo-5-methyl-2,3-dihydroinden-1-one,
AK00739488,
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| Complexity | 202 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.984g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.085g/mol |
| Monoisotopic Mass | 223.984g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302
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Packing Group
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Precautionary statements
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P280-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number