| CAS Number | 852389-09-4 |
| Catalog Number | AG00G9MC(AGN-PC-0WBKM0) |
| Chemical Name | 2-Chloro-1-(3-fluoro-4-methoxyphenyl)ethanone |
| IUPAC Name | 2-chloro-1-(3-fluoro-4-methoxyphenyl)ethanone |
| InChI | InChI=1S/C9H8ClFO2/c1-13-9-3-2-6(4-7(9)11)8(12)5-10/h2-4H,5H2,1H3 |
| InChI Key | UPNWCPIQVVOSHQ-UHFFFAOYSA-N |
| MDL Number | MFCD06655480 |
| Molecular Formula | C9H8ClFO2 |
| Molecular Weight | 202.6100 |
| SMILES | COC1=C(F)C=C(C(CCl)=O)C=C1 |
| Synonyms | 2-chloro-1-(3-fluoro-4-methoxyphenyl)ethanone,
852389-09-4,
2-chloro-1-(3-fluoro-4-methoxyphenyl)ethan-1-one,
AC1M9LF8,
AC1Q45KN,
CTK6H4696,
ZINC3440633,
MFCD06655480,
AKOS000118271,
MCULE-1232790769,
NE46472,
V8083,
EN300-12761,
Z85921959,
C9H8ClFO2,
ZINC03440633,
CID2560605,
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| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.609g/mol |
| Monoisotopic Mass | 202.02g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
Lot Number