Methyl 1-Methyl-5-[4-(trifluoromethyl)phenyl]pyrrole-2-carboxylate - CAS 1895780-61-6
Catalog: |
BB014637 |
Product Name: |
Methyl 1-Methyl-5-[4-(trifluoromethyl)phenyl]pyrrole-2-carboxylate |
CAS: |
1895780-61-6 |
Synonyms: |
1-methyl-5-[4-(trifluoromethyl)phenyl]-2-pyrrolecarboxylic acid methyl ester; methyl 1-methyl-5-[4-(trifluoromethyl)phenyl]pyrrole-2-carboxylate |
IUPAC Name: | methyl 1-methyl-5-[4-(trifluoromethyl)phenyl]pyrrole-2-carboxylate |
Description: | Methyl 1-Methyl-5-[4-(trifluoromethyl)phenyl]pyrrole-2-carboxylate (CAS# 1895780-61-6 ) is a useful research chemical. |
Molecular Weight: | 283.25 |
Molecular Formula: | C14H12F3NO2 |
Canonical SMILES: | CN1C(=CC=C1C(=O)OC)C2=CC=C(C=C2)C(F)(F)F |
InChI: | InChI=1S/C14H12F3NO2/c1-18-11(7-8-12(18)13(19)20-2)9-3-5-10(6-4-9)14(15,16)17/h3-8H,1-2H3 |
InChI Key: | QDURUMAQIRPCON-UHFFFAOYSA-N |
Complexity: | 351 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 283.08201311 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 283.08201311 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 31.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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