5-(2-Fluorophenyl)-1-methyl-1H-pyrrole-2-carboxylic Acid - CAS 1017414-92-4
Catalog: |
BB055177 |
Product Name: |
5-(2-Fluorophenyl)-1-methyl-1H-pyrrole-2-carboxylic Acid |
CAS: |
1017414-92-4 |
Synonyms: |
5-(2-fluorophenyl)-1-methyl-1H-pyrrole-2-carboxylic acid; 5-(2-fluorophenyl)-1-methylpyrrole-2-carboxylic acid |
IUPAC Name: | 5-(2-fluorophenyl)-1-methylpyrrole-2-carboxylic acid |
Molecular Weight: | 219.21 |
Molecular Formula: | C12H10NO2F |
Canonical SMILES: | CN1C(=CC=C1C(=O)O)C2=CC=CC=C2F |
InChI: | InChI=1S/C12H10FNO2/c1-14-10(6-7-11(14)12(15)16)8-4-2-3-5-9(8)13/h2-7H,1H3,(H,15,16) |
InChI Key: | GGCQFQKNZBLIHQ-UHFFFAOYSA-N |
Complexity: | 272 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 219.06955672 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 219.06955672 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 42.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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