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16261-80-6 | 4-(2-HYDROXYHEXAFLUOROISOPROPYL)BENZOIC ACID
CAS No: 16261-80-6 Catalog No: AG003JZZ MDL No:MFCD00236043
Product Description
Catalog Number:
AG003JZZ
Chemical Name:
4-(2-HYDROXYHEXAFLUOROISOPROPYL)BENZOIC ACID
CAS Number:
16261-80-6
Molecular Formula:
C10H6F6O3
Molecular Weight:
288.1433
MDL Number:
MFCD00236043
IUPAC Name:
4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzoic acid
InChI:
InChI=1S/C10H6F6O3/c11-9(12,13)8(19,10(14,15)16)6-3-1-5(2-4-6)7(17)18/h1-4,19H,(H,17,18)
InChI Key:
DLJNNINHDYILFL-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)O
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.022g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
288.145g/mol
Monoisotopic Mass:
288.022g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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