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124311-13-3 | Butanoic acid, 3,4-dibromo-2,2,3,4,4-pentafluoro-, methyl ester
CAS No: 124311-13-3 Catalog No: AG000LTT MDL No:
Product Description
Catalog Number:
AG000LTT
Chemical Name:
Butanoic acid, 3,4-dibromo-2,2,3,4,4-pentafluoro-, methyl ester
CAS Number:
124311-13-3
Molecular Formula:
C5H3Br2F5O2
Molecular Weight:
349.8761
IUPAC Name:
methyl 3,4-dibromo-2,2,3,4,4-pentafluorobutanoate
InChI:
InChI=1S/C5H3Br2F5O2/c1-14-2(13)3(8,9)4(6,10)5(7,11)12/h1H3
InChI Key:
WJHDKPUBABRPCK-UHFFFAOYSA-N
SMILES:
COC(=O)C(C(C(Br)(F)F)(Br)F)(F)F
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.84g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
349.877g/mol
Monoisotopic Mass:
347.842g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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