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950994-20-4 | 3-{[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}benzaldehyde
CAS No: 950994-20-4 Catalog No: AG01EZL8 MDL No:
Product Description
Catalog Number:
AG01EZL8
Chemical Name:
3-{[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}benzaldehyde
CAS Number:
950994-20-4
Molecular Formula:
C13H7ClF3NO2
Molecular Weight:
301.6484
IUPAC Name:
3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxybenzaldehyde
InChI:
InChI=1S/C13H7ClF3NO2/c14-11-5-9(13(15,16)17)6-18-12(11)20-10-3-1-2-8(4-10)7-19/h1-7H
InChI Key:
KBWGSVJVHNZPDJ-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)Oc1ncc(cc1Cl)C(F)(F)F
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.012g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.649g/mol
Monoisotopic Mass:
301.012g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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