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851207-98-2 | 1,4-Benzenedimethanol, 2,3,5,6-tetrafluoro-, monoacetate
CAS No: 851207-98-2 Catalog No: AG004O47 MDL No:
Product Description
Catalog Number:
AG004O47
Chemical Name:
1,4-Benzenedimethanol, 2,3,5,6-tetrafluoro-, monoacetate
CAS Number:
851207-98-2
Molecular Formula:
C10H10F4O4
Molecular Weight:
270.1776
IUPAC Name:
acetic acid;[2,3,5,6-tetrafluoro-4-(hydroxymethyl)phenyl]methanol
InChI:
InChI=1S/C8H6F4O2.C2H4O2/c9-5-3(1-13)6(10)8(12)4(2-14)7(5)11;1-2(3)4/h13-14H,1-2H2;1H3,(H,3,4)
InChI Key:
YMONAJIMUXOHMW-UHFFFAOYSA-N
SMILES:
CC(=O)O.OCc1c(F)c(F)c(c(c1F)F)CO
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.052g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
270.18g/mol
Monoisotopic Mass:
270.052g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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