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88221-24-3 | 2H-Pyrrole, 3-(5-bromo-2-benzofuranyl)-5-ethoxy-3,4-dihydro-
CAS No: 88221-24-3 Catalog No: AG004D96 MDL No:
Product Description
Catalog Number:
AG004D96
Chemical Name:
2H-Pyrrole, 3-(5-bromo-2-benzofuranyl)-5-ethoxy-3,4-dihydro-
CAS Number:
88221-24-3
Molecular Formula:
C14H14BrNO2
Molecular Weight:
308.1705
IUPAC Name:
3-(5-bromo-1-benzofuran-2-yl)-5-ethoxy-3,4-dihydro-2H-pyrrole
InChI:
InChI=1S/C14H14BrNO2/c1-2-17-14-7-10(8-16-14)13-6-9-5-11(15)3-4-12(9)18-13/h3-6,10H,2,7-8H2,1H3
InChI Key:
XHCSQTRFBXRLRP-UHFFFAOYSA-N
SMILES:
CCOC1=NCC(C1)c1cc2c(o1)ccc(c2)Br
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.021g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.175g/mol
Monoisotopic Mass:
307.021g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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