| CAS Number | 365572-08-3 |
| Catalog Number | AG01A8HD(AGN-PC-00PAGO) |
| Chemical Name | 2-Bromo-1-(4-isopropoxyphenyl)ethanone |
| IUPAC Name | 2-bromo-1-(4-propan-2-yloxyphenyl)ethanone |
| InChI | InChI=1S/C11H13BrO2/c1-8(2)14-10-5-3-9(4-6-10)11(13)7-12/h3-6,8H,7H2,1-2H3 |
| InChI Key | UOEGCVFXAKQTNI-UHFFFAOYSA-N |
| MDL Number | MFCD11131361 |
| Molecular Formula | C11H13BrO2 |
| Molecular Weight | 257.1237 |
| SMILES | CC(OC1=CC=C(C(CBr)=O)C=C1)C |
| Synonyms | 365572-08-3,
2-bromo-1-[4-(propan-2-yloxy)phenyl]ethan-1-one,
2-BROMO-1-(4-ISOPROPOXYPHENYL)ETHANONE,
2-bromo-1-[4-(1-methylethoxy)phenyl]ethanone,
p-isopropoxyphenacyl bromide,
AC1Q1QO1,
SCHEMBL1461730,
CTK1B6250,
DTXSID60572930,
UOEGCVFXAKQTNI-UHFFFAOYSA-N,
ZINC19842993,
AKOS000210791,
NE49946,
2-bromo-1-(4-isopropoxy-phenyl)-ethanone,
EN300-61619,
Ethanone, 2-bromo-1-[4-(1-methylethoxy)phenyl]-,
2-Bromo-1-{4-[(propan-2-yl)oxy]phenyl}ethan-1-one,
2-bromo-1-(4-propan-2-yloxyphenyl)ethanone,
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| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.127g/mol |
| Monoisotopic Mass | 256.01g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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