| CAS Number | 923832-17-1 |
| Catalog Number | AG00IH4B |
| Chemical Name | 2,5-dimethyl-1-(2,3,4-trifluorophenyl)-1H-pyrrole-3-carbaldehyde |
| IUPAC Name | 2,5-dimethyl-1-(2,3,4-trifluorophenyl)pyrrole-3-carbaldehyde |
| InChI | InChI=1S/C13H10F3NO/c1-7-5-9(6-18)8(2)17(7)11-4-3-10(14)12(15)13(11)16/h3-6H,1-2H3 |
| InChI Key | ZKNITCGSHSEZJE-UHFFFAOYSA-N |
| MDL Number | MFCD08445070 |
| Molecular Formula | C13H10F3NO |
| Molecular Weight | 253.2198 |
| SMILES | CC1N(C2=C(F)C(F)=C(F)C=C2)C(C)=C(C=O)C=1 |
| Synonyms | 2,5-dimethyl-1-(2,3,4-trifluorophenyl)-1H-pyrrole-3-carbaldehyde,
923832-17-1,
AC1Q2IHK,
SCHEMBL17802308,
CTK7H8932,
MFCD08445070,
ZINC12540163,
AKOS000202343,
MCULE-5462858153,
NE13903,
EN300-35461,
|
| Complexity | 315 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.224g/mol |
| Monoisotopic Mass | 253.071g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 22A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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