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84532-72-9 | 1-Naphthalenecarboxylicacid, 6-methoxy-5-(trifluoromethyl)-
CAS No: 84532-72-9 Catalog No: AG004RAQ MDL No:
Product Description
Catalog Number:
AG004RAQ
Chemical Name:
1-Naphthalenecarboxylicacid, 6-methoxy-5-(trifluoromethyl)-
CAS Number:
84532-72-9
Molecular Formula:
C13H9F3O3
Molecular Weight:
270.2040
IUPAC Name:
6-methoxy-5-(trifluoromethyl)naphthalene-1-carboxylic acid
InChI:
InChI=1S/C13H9F3O3/c1-19-10-6-5-7-8(11(10)13(14,15)16)3-2-4-9(7)12(17)18/h2-6H,1H3,(H,17,18)
InChI Key:
AEBBCDMWPOXGSG-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1C(F)(F)F)cccc2C(=O)O
UNII:
O4CB3Z47OG
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.05g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.207g/mol
Monoisotopic Mass:
270.05g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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