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834894-98-3 | Benzonitrile, 4-[2-(2-methoxyethyl)-5-benzofuranyl]-
CAS No: 834894-98-3 Catalog No: AG0050NI MDL No:
Product Description
Catalog Number:
AG0050NI
Chemical Name:
Benzonitrile, 4-[2-(2-methoxyethyl)-5-benzofuranyl]-
CAS Number:
834894-98-3
Molecular Formula:
C18H15NO2
Molecular Weight:
277.3172
IUPAC Name:
4-[2-(2-methoxyethyl)-1-benzofuran-5-yl]benzonitrile
InChI:
InChI=1S/C18H15NO2/c1-20-9-8-17-11-16-10-15(6-7-18(16)21-17)14-4-2-13(12-19)3-5-14/h2-7,10-11H,8-9H2,1H3
InChI Key:
LKPULJVDCNFTLE-UHFFFAOYSA-N
SMILES:
COCCc1oc2c(c1)cc(cc2)c1ccc(cc1)C#N
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.11g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.323g/mol
Monoisotopic Mass:
277.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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