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Home > Fluorides > 893738-98-2
893738-98-2 | (2',3',4',5',6'-Pentafluoro-biphenyl-4-yl)-methanol
CAS No: 893738-98-2 Catalog No: AG01EYQE MDL No:
Product Description
Catalog Number:
AG01EYQE
Chemical Name:
(2',3',4',5',6'-Pentafluoro-biphenyl-4-yl)-methanol
CAS Number:
893738-98-2
Molecular Formula:
C13H7F5O
Molecular Weight:
274.1861
IUPAC Name:
[4-(2,3,4,5,6-pentafluorophenyl)phenyl]methanol
InChI:
InChI=1S/C13H7F5O/c14-9-8(7-3-1-6(5-19)2-4-7)10(15)12(17)13(18)11(9)16/h1-4,19H,5H2
InChI Key:
VGXOQQFKLFLPJV-UHFFFAOYSA-N
SMILES:
OCc1ccc(cc1)c1c(F)c(F)c(c(c1F)F)F
Properties
Complexity:
279
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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