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141778-53-2 | Benzonitrile, 4-(5-pentyl-2-thienyl)-
CAS No: 141778-53-2 Catalog No: AG001H11 MDL No:
Product Description
Catalog Number:
AG001H11
Chemical Name:
Benzonitrile, 4-(5-pentyl-2-thienyl)-
CAS Number:
141778-53-2
Molecular Formula:
C16H17NS
Molecular Weight:
255.3779
IUPAC Name:
4-(5-pentylthiophen-2-yl)benzonitrile
InChI:
InChI=1S/C16H17NS/c1-2-3-4-5-15-10-11-16(18-15)14-8-6-13(12-17)7-9-14/h6-11H,2-5H2,1H3
InChI Key:
JKIMJUDBXNLNNP-UHFFFAOYSA-N
SMILES:
CCCCCc1ccc(s1)c1ccc(cc1)C#N
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.108g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.379g/mol
Monoisotopic Mass:
255.108g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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