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2822-41-5 | 2,3,4-Trifluorophenol
CAS No: 2822-41-5 Catalog No: AG003B3J MDL No:MFCD00042426
Product Description
Catalog Number:
AG003B3J
Chemical Name:
2,3,4-Trifluorophenol
CAS Number:
2822-41-5
Molecular Formula:
C6H3F3O
Molecular Weight:
148.0826
MDL Number:
MFCD00042426
IUPAC Name:
2,3,4-trifluorophenol
InChI:
InChI=1S/C6H3F3O/c7-3-1-2-4(10)6(9)5(3)8/h1-2,10H
InChI Key:
IJGSULQFKYOYEU-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1F)F)F
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.014g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
148.084g/mol
Monoisotopic Mass:
148.014g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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