5-(4-Bromophenyl)-2-methyl-1-[3-(trifluoromethyl)phenyl]-1h-pyrrole-3-carboxylic acid - CAS 881040-06-8
Catalog: |
BB055386 |
Product Name: |
5-(4-Bromophenyl)-2-methyl-1-[3-(trifluoromethyl)phenyl]-1h-pyrrole-3-carboxylic acid |
CAS: |
881040-06-8 |
Synonyms: |
5-(4-bromophenyl)-2-methyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxylic acid; 5-(4-bromophenyl)-2-methyl-1-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxylic Acid |
IUPAC Name: | 5-(4-bromophenyl)-2-methyl-1-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxylic acid |
Description: | 5-(4-Bromophenyl)-2-methyl-1-[3-(trifluoromethyl)phenyl]-1h-pyrrole-3-carboxylic acid |
Molecular Weight: | 424.21 |
Molecular Formula: | C19H13BrF3NO2 |
Canonical SMILES: | CC1=C(C=C(N1C2=CC=CC(=C2)C(F)(F)F)C3=CC=C(C=C3)Br)C(=O)O |
InChI: | InChI=1S/C19H13BrF3NO2/c1-11-16(18(25)26)10-17(12-5-7-14(20)8-6-12)24(11)15-4-2-3-13(9-15)19(21,22)23/h2-10H,1H3,(H,25,26) |
InChI Key: | ZYRFSMPEHOQTDJ-UHFFFAOYSA-N |
Complexity: | 508 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 423.00818 |
Formal Charge: | 0 |
Heavy Atom Count: | 26 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 423.00818 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 42.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5.5 |
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