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Home > Fluorides > 147917-04-2
147917-04-2 | 2-Piperazinone, 3-(3,3-difluoro-2-oxopropylidene)-
CAS No: 147917-04-2 Catalog No: AG001FAX MDL No:
Product Description
Catalog Number:
AG001FAX
Chemical Name:
2-Piperazinone, 3-(3,3-difluoro-2-oxopropylidene)-
CAS Number:
147917-04-2
Molecular Formula:
C7H8F2N2O2
Molecular Weight:
190.1474
IUPAC Name:
3-(3,3-difluoro-2-oxopropylidene)piperazin-2-one
InChI:
InChI=1S/C7H8F2N2O2/c8-6(9)5(12)3-4-7(13)11-2-1-10-4/h3,6,10H,1-2H2,(H,11,13)
InChI Key:
ZJMJINBTHWAJIV-UHFFFAOYSA-N
SMILES:
O=C(C(F)F)C=C1NCCNC1=O
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.055g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
190.15g/mol
Monoisotopic Mass:
190.055g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.3
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