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1170575-17-3 | [7-(2-FLUOROPHENYL)-1-OXO-1,2,3,4-TETRAHYDROPYRROLO[1,2-A]PYRAZIN-4-YL]ACETIC
CAS No: 1170575-17-3 Catalog No: AG000DN4 MDL No:
Product Description
Catalog Number:
AG000DN4
Chemical Name:
[7-(2-FLUOROPHENYL)-1-OXO-1,2,3,4-TETRAHYDROPYRROLO[1,2-A]PYRAZIN-4-YL]ACETIC
CAS Number:
1170575-17-3
Molecular Formula:
C15H13FN2O3
Molecular Weight:
288.2737
IUPAC Name:
2-[7-(2-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetic acid
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
SMILES:
OC(=O)CC1CNC(=O)c2n1cc(c2)c1ccccc1F
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.091g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
288.278g/mol
Monoisotopic Mass:
288.091g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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