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128160-31-6 | Butanoic acid, 4-bromo-2,2,3,3,4,4-hexafluoro-, methyl ester
CAS No: 128160-31-6 Catalog No: AG000XUN MDL No:
Product Description
Catalog Number:
AG000XUN
Chemical Name:
Butanoic acid, 4-bromo-2,2,3,3,4,4-hexafluoro-, methyl ester
CAS Number:
128160-31-6
Molecular Formula:
C5H3BrF6O2
Molecular Weight:
288.9705
IUPAC Name:
methyl 4-bromo-2,2,3,3,4,4-hexafluorobutanoate
InChI:
InChI=1S/C5H3BrF6O2/c1-14-2(13)3(7,8)4(9,10)5(6,11)12/h1H3
InChI Key:
ZINPNCTWKSHAJD-UHFFFAOYSA-N
SMILES:
COC(=O)C(C(C(Br)(F)F)(F)F)(F)F
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.922g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.971g/mol
Monoisotopic Mass:
287.922g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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