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Home > Fluorides > 127947-14-2
127947-14-2 | Hexadecanoic acid, 6,6,16-trifluoro-
CAS No: 127947-14-2 Catalog No: AG000XLB MDL No:
Product Description
Catalog Number:
AG000XLB
Chemical Name:
Hexadecanoic acid, 6,6,16-trifluoro-
CAS Number:
127947-14-2
Molecular Formula:
C16H29F3O2
Molecular Weight:
310.3955
IUPAC Name:
6,6,16-trifluorohexadecanoic acid
InChI:
InChI=1S/C16H29F3O2/c17-14-10-6-4-2-1-3-5-8-12-16(18,19)13-9-7-11-15(20)21/h1-14H2,(H,20,21)
InChI Key:
DZEJWELXGJZCOF-UHFFFAOYSA-N
SMILES:
FCCCCCCCCCCC(CCCCC(=O)O)(F)F
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.212g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
310.401g/mol
Monoisotopic Mass:
310.212g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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