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87461-67-4 | Butanoic acid, heptafluoro-, (4-methoxyphenyl)methyl ester
CAS No: 87461-67-4 Catalog No: AG004EQ9 MDL No:
Product Description
Catalog Number:
AG004EQ9
Chemical Name:
Butanoic acid, heptafluoro-, (4-methoxyphenyl)methyl ester
CAS Number:
87461-67-4
Molecular Formula:
C12H9F7O3
Molecular Weight:
334.1869
IUPAC Name:
(4-methoxyphenyl)methyl 2,2,3,3,4,4,4-heptafluorobutanoate
InChI:
InChI=1S/C12H9F7O3/c1-21-8-4-2-7(3-5-8)6-22-9(20)10(13,14)11(15,16)12(17,18)19/h2-5H,6H2,1H3
InChI Key:
UXRKKLGONWLJCQ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)COC(=O)C(C(C(F)(F)F)(F)F)(F)F
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.044g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.19g/mol
Monoisotopic Mass:
334.044g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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