7-(2-Fluorophenyl)-1,2,3,4-tetrahydro-1-oxo-pyrrolo[1,2-a]pyrazine-4-acetic Acid - CAS 1170575-17-3
Catalog: |
BB065043 |
Product Name: |
7-(2-Fluorophenyl)-1,2,3,4-tetrahydro-1-oxo-pyrrolo[1,2-a]pyrazine-4-acetic Acid |
CAS: |
1170575-17-3 |
Synonyms: |
2-(7-(2-Fluorophenyl)-1-oxo-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-4-yl)acetic acid; 2-[7-(2-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetic acid; 2-(7-(2-Fluorophenyl)-1-oxo-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-4-yl)aceticacid; PYRROLO[1,2-A]PYRAZINE-4-ACETIC ACID, 7-(2-FLUOROPHENYL)-1,2,3,4-TETRAHYDRO-1-OXO- |
IUPAC Name: | 2-[7-(2-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetic acid |
Molecular Weight: | 288.27 |
Molecular Formula: | C15H13FN2O3 |
Canonical SMILES: | C1C(N2C=C(C=C2C(=O)N1)C3=CC=CC=C3F)CC(=O)O |
InChI: | InChI=1S/C15H13FN2O3/c16-12-4-2-1-3-11(12)9-5-13-15(21)17-7-10(6-14(19)20)18(13)8-9/h1-5,8,10H,6-7H2,(H,17,21)(H,19,20) |
InChI Key: | KCZKCLXJUDGXTQ-UHFFFAOYSA-N |
Complexity: | 431 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 288.09102044 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 288.09102044 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 71.3Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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