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189066-64-6 | 2-Naphthalenemethanol, 3-bromo-1,4,5,8-tetramethoxy-
CAS No: 189066-64-6 Catalog No: AG002HTF MDL No:
Product Description
Catalog Number:
AG002HTF
Chemical Name:
2-Naphthalenemethanol, 3-bromo-1,4,5,8-tetramethoxy-
CAS Number:
189066-64-6
Molecular Formula:
C15H17BrO5
Molecular Weight:
357.1965
IUPAC Name:
(3-bromo-1,4,5,8-tetramethoxynaphthalen-2-yl)methanol
InChI:
InChI=1S/C15H17BrO5/c1-18-9-5-6-10(19-2)12-11(9)14(20-3)8(7-17)13(16)15(12)21-4/h5-6,17H,7H2,1-4H3
InChI Key:
WVZJLXBAFQPKJU-UHFFFAOYSA-N
SMILES:
OCc1c(OC)c2c(OC)ccc(c2c(c1Br)OC)OC
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.026g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
357.2g/mol
Monoisotopic Mass:
356.026g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
57.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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