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147297-42-5 | Pentalene, 1-(2-bromo-1,1,2,2-tetrafluoroethyl)octahydro-4-iodo-
CAS No: 147297-42-5 Catalog No: AG001ES6 MDL No:
Product Description
Catalog Number:
AG001ES6
Chemical Name:
Pentalene, 1-(2-bromo-1,1,2,2-tetrafluoroethyl)octahydro-4-iodo-
CAS Number:
147297-42-5
Molecular Formula:
C10H12BrF4I
Molecular Weight:
415.0044
IUPAC Name:
1-(2-bromo-1,1,2,2-tetrafluoroethyl)-4-iodo-1,2,3,3a,4,5,6,6a-octahydropentalene
InChI:
InChI=1S/C10H12BrF4I/c11-10(14,15)9(12,13)7-3-1-6-5(7)2-4-8(6)16/h5-8H,1-4H2
InChI Key:
SQRQSKUFTIVOLR-UHFFFAOYSA-N
SMILES:
IC1CCC2C1CCC2C(C(Br)(F)F)(F)F
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
413.91g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
415.008g/mol
Monoisotopic Mass:
413.91g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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