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178877-03-7 | Ethyl 4-(benzyloxy)-7-bromo-2-naphthoate
CAS No: 178877-03-7 Catalog No: AG0026FY MDL No:
Product Description
Catalog Number:
AG0026FY
Chemical Name:
Ethyl 4-(benzyloxy)-7-bromo-2-naphthoate
CAS Number:
178877-03-7
Molecular Formula:
C20H17BrO3
Molecular Weight:
385.2512
IUPAC Name:
ethyl 7-bromo-4-phenylmethoxynaphthalene-2-carboxylate
InChI:
InChI=1S/C20H17BrO3/c1-2-23-20(22)16-10-15-11-17(21)8-9-18(15)19(12-16)24-13-14-6-4-3-5-7-14/h3-12H,2,13H2,1H3
InChI Key:
SUMFTPPRKZGIBN-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(OCc2ccccc2)c2c(c1)cc(cc2)Br
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
384.036g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
385.257g/mol
Monoisotopic Mass:
384.036g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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