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Home > Aldehydes > 116314-64-8
116314-64-8 | Benzaldehyde, 3,4-dihydroxy-5-(trifluoromethyl)-
CAS No: 116314-64-8 Catalog No: AG000C72 MDL No:
Product Description
Catalog Number:
AG000C72
Chemical Name:
Benzaldehyde, 3,4-dihydroxy-5-(trifluoromethyl)-
CAS Number:
116314-64-8
Molecular Formula:
C8H5F3O3
Molecular Weight:
206.1187
IUPAC Name:
3,4-dihydroxy-5-(trifluoromethyl)benzaldehyde
InChI:
InChI=1S/C8H5F3O3/c9-8(10,11)5-1-4(3-12)2-6(13)7(5)14/h1-3,13-14H
InChI Key:
ZPXDAYCKOAHUCE-UHFFFAOYSA-N
SMILES:
O=Cc1cc(O)c(c(c1)C(F)(F)F)O
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.019g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
206.12g/mol
Monoisotopic Mass:
206.019g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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