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Home > Fluorides > 1305712-21-3
1305712-21-3 | Pyrrolo[1,2-a]pyrazine, 7,7-difluorooctahydro-, hydrochloride (1:2), (8aS)-
CAS No: 1305712-21-3 Catalog No: AG000UNL MDL No:MFCD18533587
Product Description
Catalog Number:
AG000UNL
Chemical Name:
Pyrrolo[1,2-a]pyrazine, 7,7-difluorooctahydro-, hydrochloride (1:2), (8aS)-
CAS Number:
1305712-21-3
Molecular Formula:
C7H14Cl2F2N2
Molecular Weight:
235.1023
MDL Number:
MFCD18533587
IUPAC Name:
(8aS)-7,7-difluoro-2,3,4,6,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;dihydrochloride
InChI:
InChI=1S/C7H12F2N2.2ClH/c8-7(9)3-6-4-10-1-2-11(6)5-7;;/h6,10H,1-5H2;2*1H/t6-;;/m0../s1
InChI Key:
QZJJVCXSBJSFOG-ILKKLZGPSA-N
SMILES:
FC1(F)CN2[C@@H](C1)CNCC2.Cl.Cl
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
234.05g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
235.1g/mol
Monoisotopic Mass:
234.05g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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