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101932-16-5 | Cyclopentanone, 2,5-bis[2-chloro-1-(chlorodifluoromethyl)-2,2-difluoro-1-hydroxyethyl]-
CAS No: 101932-16-5 Catalog No: AG0005ZR MDL No:
Product Description
Catalog Number:
AG0005ZR
Chemical Name:
Cyclopentanone, 2,5-bis[2-chloro-1-(chlorodifluoromethyl)-2,2-difluoro-1-hydroxyethyl]-
CAS Number:
101932-16-5
Molecular Formula:
C11H8Cl4F8O3
Molecular Weight:
481.9786
IUPAC Name:
2,5-bis(1,3-dichloro-1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)cyclopentan-1-one
InChI:
InChI=1S/C11H8Cl4F8O3/c12-8(16,17)6(25,9(13,18)19)3-1-2-4(5(3)24)7(26,10(14,20)21)11(15,22)23/h3-4,25-26H,1-2H2
InChI Key:
PLJLDBYXNJNTPM-UHFFFAOYSA-N
SMILES:
OC(C(Cl)(F)F)(C(Cl)(F)F)C1CCC(C1=O)C(C(Cl)(F)F)(C(Cl)(F)F)O
NSC Number:
659210
Properties
Complexity:
512
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
481.907g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
481.969g/mol
Monoisotopic Mass:
479.91g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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