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85722-07-2 | Titanium,bis[(1,2,3,4,5-h)-1-butyl-2,4-cyclopentadien-1-yl]difluoro-
CAS No: 85722-07-2 Catalog No: AG004P9P MDL No:
Product Description
Catalog Number:
AG004P9P
Chemical Name:
Titanium,bis[(1,2,3,4,5-h)-1-butyl-2,4-cyclopentadien-1-yl]difluoro-
CAS Number:
85722-07-2
Molecular Formula:
C18H26F2Ti
Molecular Weight:
328.2628
IUPAC Name:
2-butylcyclopenta-1,3-diene;difluorotitanium
InChI:
InChI=1S/2C9H13.2FH.Ti/c2*1-2-3-6-9-7-4-5-8-9;;;/h2*4-5,7-8H,2-3,6H2,1H3;2*1H;/q2*-1;;;+2/p-2
InChI Key:
XDTOQBWPVGDQTA-UHFFFAOYSA-L
SMILES:
CCCCC1=C(CC=C1)[Ti](C1=C(CCCC)C=CC1)(F)F
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.148g/mol
Formal Charge:
-2
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
328.27g/mol
Monoisotopic Mass:
328.148g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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