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82126-64-5 | 1,6-dibromonaphthalen-2-yl heptafluorobutanoate
CAS No: 82126-64-5 Catalog No: AG0051I5 MDL No:
Product Description
Catalog Number:
AG0051I5
Chemical Name:
1,6-dibromonaphthalen-2-yl heptafluorobutanoate
CAS Number:
82126-64-5
Molecular Formula:
C14H5Br2F7O2
Molecular Weight:
497.9851
IUPAC Name:
(1,6-dibromonaphthalen-2-yl) 2,2,3,3,4,4,4-heptafluorobutanoate
InChI:
InChI=1S/C14H5Br2F7O2/c15-7-2-3-8-6(5-7)1-4-9(10(8)16)25-11(24)12(17,18)13(19,20)14(21,22)23/h1-5H
InChI Key:
BLBMEWGLTBPTKF-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)ccc(c2Br)OC(=O)C(C(C(F)(F)F)(F)F)(F)F
Properties
Complexity:
512
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
497.852g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
497.989g/mol
Monoisotopic Mass:
495.854g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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