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857081-69-7 | 2-Benzofurancarboxylicacid, 5-bromo-3-methyl-4-(1-methylethoxy)-, ethyl ester
CAS No: 857081-69-7 Catalog No: AG004T48 MDL No:
Product Description
Catalog Number:
AG004T48
Chemical Name:
2-Benzofurancarboxylicacid, 5-bromo-3-methyl-4-(1-methylethoxy)-, ethyl ester
CAS Number:
857081-69-7
Molecular Formula:
C15H17BrO4
Molecular Weight:
341.1971
IUPAC Name:
ethyl 5-bromo-3-methyl-4-propan-2-yloxy-1-benzofuran-2-carboxylate
InChI:
InChI=1S/C15H17BrO4/c1-5-18-15(17)13-9(4)12-11(20-13)7-6-10(16)14(12)19-8(2)3/h6-8H,5H2,1-4H3
InChI Key:
KRDNJGSDLJDNSQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1oc2c(c1C)c(OC(C)C)c(cc2)Br
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.031g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
341.201g/mol
Monoisotopic Mass:
340.031g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
48.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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