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88234-59-7 | 2H-Pyrrole, 3-benzo[b]thien-2-yl-5-ethoxy-3,4-dihydro-
CAS No: 88234-59-7 Catalog No: AG004CXD MDL No:
Product Description
Catalog Number:
AG004CXD
Chemical Name:
2H-Pyrrole, 3-benzo[b]thien-2-yl-5-ethoxy-3,4-dihydro-
CAS Number:
88234-59-7
Molecular Formula:
C14H15NOS
Molecular Weight:
245.3400
IUPAC Name:
3-(1-benzothiophen-2-yl)-5-ethoxy-3,4-dihydro-2H-pyrrole
InChI:
InChI=1S/C14H15NOS/c1-2-16-14-8-11(9-15-14)13-7-10-5-3-4-6-12(10)17-13/h3-7,11H,2,8-9H2,1H3
InChI Key:
QWUNSVSZYKPAHA-UHFFFAOYSA-N
SMILES:
CCOC1=NCC(C1)c1cc2c(s1)cccc2
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.087g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.34g/mol
Monoisotopic Mass:
245.087g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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