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76350-81-7 | (2',3',4',5',6'-Pentafluoro[1,1'-biphenyl]-3-yl) methanol
CAS No: 76350-81-7 Catalog No: AG01EXBR MDL No:
Product Description
Catalog Number:
AG01EXBR
Chemical Name:
(2',3',4',5',6'-Pentafluoro[1,1'-biphenyl]-3-yl) methanol
CAS Number:
76350-81-7
Molecular Formula:
C13H7F5O
Molecular Weight:
274.1861
IUPAC Name:
[3-(2,3,4,5,6-pentafluorophenyl)phenyl]methanol
InChI:
InChI=1S/C13H7F5O/c14-9-8(7-3-1-2-6(4-7)5-19)10(15)12(17)13(18)11(9)16/h1-4,19H,5H2
InChI Key:
RBOAWGWTJWYQAI-UHFFFAOYSA-N
SMILES:
OCc1cccc(c1)c1c(F)c(F)c(c(c1F)F)F
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.042g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.19g/mol
Monoisotopic Mass:
274.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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