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Home > Fluorides > 131176-01-7
131176-01-7 | Pyrrolo[1,2-a]pyrazine-1,4-dione, 7-fluorohexahydro-3-(phenylmethyl)-, [3R-(3α,7β,8aβ)]- (9CI)
CAS No: 131176-01-7 Catalog No: AG000VNF MDL No:
Product Description
Catalog Number:
AG000VNF
Chemical Name:
Pyrrolo[1,2-a]pyrazine-1,4-dione, 7-fluorohexahydro-3-(phenylmethyl)-, [3R-(3α,7β,8aβ)]- (9CI)
CAS Number:
131176-01-7
Molecular Formula:
C14H15FN2O2
Molecular Weight:
262.2795
IUPAC Name:
(3R,7S,8aR)-3-benzyl-7-fluoro-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
InChI:
InChI=1S/C14H15FN2O2/c15-10-7-12-13(18)16-11(14(19)17(12)8-10)6-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2,(H,16,18)/t10-,11+,12+/m0/s1
InChI Key:
GBONPFZXBBXCLT-QJPTWQEYSA-N
SMILES:
F[C@H]1C[C@H]2N(C1)C(=O)[C@H](NC2=O)Cc1ccccc1
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
262.112g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.284g/mol
Monoisotopic Mass:
262.112g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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