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124311-21-3 | Butanoic acid, 3,4-dibromo-2,2,3,4,4-pentafluoro-, 2,4,6-tribromophenyl ester
CAS No: 124311-21-3 Catalog No: AG000LTP MDL No:
Product Description
Catalog Number:
AG000LTP
Chemical Name:
Butanoic acid, 3,4-dibromo-2,2,3,4,4-pentafluoro-, 2,4,6-tribromophenyl ester
CAS Number:
124311-21-3
Molecular Formula:
C10H2Br5F5O2
Molecular Weight:
648.6337
IUPAC Name:
(2,4,6-tribromophenyl) 3,4-dibromo-2,2,3,4,4-pentafluorobutanoate
InChI:
InChI=1S/C10H2Br5F5O2/c11-3-1-4(12)6(5(13)2-3)22-7(21)8(16,17)9(14,18)10(15,19)20/h1-2H
InChI Key:
NGFNCJHFVBQNMS-UHFFFAOYSA-N
SMILES:
Brc1cc(Br)c(c(c1)Br)OC(=O)C(C(C(Br)(F)F)(Br)F)(F)F
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
647.585g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
648.636g/mol
Monoisotopic Mass:
643.589g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7
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