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190205-93-7 | Benzonitrile, 4-[2-[4-(1-azetidinyl)phenyl]ethenyl]-
CAS No: 190205-93-7 Catalog No: AG002EEL MDL No:
Product Description
Catalog Number:
AG002EEL
Chemical Name:
Benzonitrile, 4-[2-[4-(1-azetidinyl)phenyl]ethenyl]-
CAS Number:
190205-93-7
Molecular Formula:
C18H16N2
Molecular Weight:
260.3330
IUPAC Name:
4-[2-[4-(azetidin-1-yl)phenyl]ethenyl]benzonitrile
InChI:
InChI=1S/C18H16N2/c19-14-17-6-4-15(5-7-17)2-3-16-8-10-18(11-9-16)20-12-1-13-20/h2-11H,1,12-13H2
InChI Key:
LTNODKHSRCOHDK-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)C=Cc1ccc(cc1)N1CCC1
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.131g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.34g/mol
Monoisotopic Mass:
260.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.2
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