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Home > Aldehydes > 128079-85-6
128079-85-6 | Benzaldehyde, 4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-hydroxy-
CAS No: 128079-85-6 Catalog No: AG000XSQ MDL No:
Product Description
Catalog Number:
AG000XSQ
Chemical Name:
Benzaldehyde, 4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-hydroxy-
CAS Number:
128079-85-6
Molecular Formula:
C14H8ClF3O3
Molecular Weight:
316.6597
IUPAC Name:
4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-hydroxybenzaldehyde
InChI:
InChI=1S/C14H8ClF3O3/c15-11-5-9(14(16,17)18)2-4-13(11)21-10-3-1-8(7-19)12(20)6-10/h1-7,20H
InChI Key:
MVMPBVXFAMLEDX-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1O)Oc1ccc(cc1Cl)C(F)(F)F
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.011g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
316.66g/mol
Monoisotopic Mass:
316.011g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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