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826992-34-1 | Butanoic acid, 4-[(2-acetyl-4-bromo-7-benzofuranyl)oxy]-, ethyl ester
CAS No: 826992-34-1 Catalog No: AG0051VU MDL No:
Product Description
Catalog Number:
AG0051VU
Chemical Name:
Butanoic acid, 4-[(2-acetyl-4-bromo-7-benzofuranyl)oxy]-, ethyl ester
CAS Number:
826992-34-1
Molecular Formula:
C16H17BrO5
Molecular Weight:
369.2072
IUPAC Name:
ethyl 4-[(2-acetyl-4-bromo-1-benzofuran-7-yl)oxy]butanoate
InChI:
InChI=1S/C16H17BrO5/c1-3-20-15(19)5-4-8-21-13-7-6-12(17)11-9-14(10(2)18)22-16(11)13/h6-7,9H,3-5,8H2,1-2H3
InChI Key:
WXLLHFANJNYWMZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCOc1ccc(c2c1oc(c2)C(=O)C)Br
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.026g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
369.211g/mol
Monoisotopic Mass:
368.026g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
65.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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