5-(4-Fluorophenyl)-1-methyl-1H-pyrrole-2-carboxylic Acid
Catalog: |
BB065052 |
Product Name: |
5-(4-Fluorophenyl)-1-methyl-1H-pyrrole-2-carboxylic Acid |
Synonyms: |
5-(4-fluorophenyl)-1-methyl-1H-pyrrole-2-carboxylic acid; 5-(4-fluorophenyl)-1-methylpyrrole-2-carboxylic acid; 5-(4-fluorophenyl)-1-methyl-1H-pyrrole-2-carboxylicacid |
IUPAC Name: | 5-(4-fluorophenyl)-1-methylpyrrole-2-carboxylic acid |
Molecular Weight: | 285.22 |
Molecular Formula: | C13H10F3NO3 |
Canonical SMILES: | CN1C(=CC=C1C(=O)O)C2=CC=C(C=C2)F |
InChI: | InChI=1S/C12H10FNO2/c1-14-10(6-7-11(14)12(15)16)8-2-4-9(13)5-3-8/h2-7H,1H3,(H,15,16) |
InChI Key: | KGAUEEYVIWDUGX-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 264 |
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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