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88245-15-2 | 1-Naphthalenecarboxaldehyde, 6-methoxy-5-(trifluoromethyl)-
CAS No: 88245-15-2 Catalog No: AG004AMZ MDL No:
Product Description
Catalog Number:
AG004AMZ
Chemical Name:
1-Naphthalenecarboxaldehyde, 6-methoxy-5-(trifluoromethyl)-
CAS Number:
88245-15-2
Molecular Formula:
C13H9F3O2
Molecular Weight:
254.2046
IUPAC Name:
6-methoxy-5-(trifluoromethyl)naphthalene-1-carbaldehyde
InChI:
InChI=1S/C13H9F3O2/c1-18-11-6-5-9-8(7-17)3-2-4-10(9)12(11)13(14,15)16/h2-7H,1H3
InChI Key:
WGPVDRWLOMLILL-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1C(F)(F)F)cccc2C=O
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.055g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.208g/mol
Monoisotopic Mass:
254.055g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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