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Home > Aldehydes > 114315-20-7
114315-20-7 | 1,3-Benzenedicarboxaldehyde, 2-hydroxy-5-(trifluoromethyl)-
CAS No: 114315-20-7 Catalog No: AG000B1W MDL No:
Product Description
Catalog Number:
AG000B1W
Chemical Name:
1,3-Benzenedicarboxaldehyde, 2-hydroxy-5-(trifluoromethyl)-
CAS Number:
114315-20-7
Molecular Formula:
C9H5F3O3
Molecular Weight:
218.1294
IUPAC Name:
2-hydroxy-5-(trifluoromethyl)benzene-1,3-dicarbaldehyde
InChI:
InChI=1S/C9H5F3O3/c10-9(11,12)7-1-5(3-13)8(15)6(2-7)4-14/h1-4,15H
InChI Key:
CTRYVVDGUDKJRD-UHFFFAOYSA-N
SMILES:
O=Cc1cc(cc(c1O)C=O)C(F)(F)F
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.019g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.131g/mol
Monoisotopic Mass:
218.019g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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