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13835-88-6 | Benzoic acid, 4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-
CAS No: 13835-88-6 Catalog No: AG0018M7 MDL No:
Product Description
Catalog Number:
AG0018M7
Chemical Name:
Benzoic acid, 4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-
CAS Number:
13835-88-6
Molecular Formula:
C11H5F9O2
Molecular Weight:
340.1418
IUPAC Name:
4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)benzoic acid
InChI:
InChI=1S/C11H5F9O2/c12-8(13,6-3-1-5(2-4-6)7(21)22)9(14,15)10(16,17)11(18,19)20/h1-4H,(H,21,22)
InChI Key:
RHLDKBOSGKSXEL-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.015g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
340.145g/mol
Monoisotopic Mass:
340.015g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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