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132711-05-8 | Acetic acid, 2-bromo-, 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl ester
CAS No: 132711-05-8 Catalog No: AG00111S MDL No:
Product Description
Catalog Number:
AG00111S
Chemical Name:
Acetic acid, 2-bromo-, 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl ester
CAS Number:
132711-05-8
Molecular Formula:
C10H6BrF13O2
Molecular Weight:
485.0367
IUPAC Name:
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl 2-bromoacetate
InChI:
InChI=1S/C10H6BrF13O2/c11-3-4(25)26-2-1-5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)24/h1-3H2
InChI Key:
IMXPOZAAMSKBJQ-UHFFFAOYSA-N
SMILES:
BrCC(=O)OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Properties
Complexity:
514
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
483.934g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
15
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
485.039g/mol
Monoisotopic Mass:
483.934g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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