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116356-70-8 | Hexanoic acid, 2-chloro-3,3,4,4,5,5,6,6,6-nonafluoro-, methyl ester
CAS No: 116356-70-8 Catalog No: AG000CA6 MDL No:
Product Description
Catalog Number:
AG000CA6
Chemical Name:
Hexanoic acid, 2-chloro-3,3,4,4,5,5,6,6,6-nonafluoro-, methyl ester
CAS Number:
116356-70-8
Molecular Formula:
C7H4ClF9O2
Molecular Weight:
326.5441
IUPAC Name:
methyl 2-chloro-3,3,4,4,5,5,6,6,6-nonafluorohexanoate
InChI:
InChI=1S/C7H4ClF9O2/c1-19-3(18)2(8)4(9,10)5(11,12)6(13,14)7(15,16)17/h2H,1H3
InChI Key:
ZDQKJWZLKLQXAO-UHFFFAOYSA-N
SMILES:
COC(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)Cl
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.976g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.543g/mol
Monoisotopic Mass:
325.976g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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