| CAS Number | 727696-15-3 |
| Catalog Number | AG019J3S |
| Chemical Name | 2-chloro-1-{1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}propan-1-one |
| IUPAC Name | 2-chloro-1-[1-[4-(difluoromethoxy)phenyl]-2,5-dimethylpyrrol-3-yl]propan-1-one |
| InChI | InChI=1S/C16H16ClF2NO2/c1-9-8-14(15(21)10(2)17)11(3)20(9)12-4-6-13(7-5-12)22-16(18)19/h4-8,10,16H,1-3H3 |
| InChI Key | DJCARZPPCAKQEL-UHFFFAOYSA-N |
| MDL Number | MFCD04617321 |
| Molecular Formula | C16H16ClF2NO2 |
| Molecular Weight | 327.7535 |
| SMILES | CC(C(C1=C(C)N(C2=CC=C(OC(F)F)C=C2)C(C)=C1)=O)Cl |
| Synonyms | 2-chloro-1-{1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}propan-1-one,
727696-15-3,
2-Chloro-1-(1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl)propan-1-one,
AC1MQL5G,
AC1Q1R34,
CTK7B7410,
MFCD04617321,
AKOS030698630,
MCULE-5228195568,
NE31610,
EN300-08487,
2-chloro-1-[1-[4-(difluoromethoxy)phenyl]-2,5-dimethylpyrrol-3-yl]propan-1-one,
ZINC03887387,
CID3478467,
|
| Complexity | 388 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 327.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 327.756g/mol |
| Monoisotopic Mass | 327.084g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 31.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.7 |
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Certificate of Analysis
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