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768295-57-4 | Benzonitrile, 4-[1-[4-(dimethylamino)phenyl]ethenyl]-
CAS No: 768295-57-4 Catalog No: AG005HK6 MDL No:
Product Description
Catalog Number:
AG005HK6
Chemical Name:
Benzonitrile, 4-[1-[4-(dimethylamino)phenyl]ethenyl]-
CAS Number:
768295-57-4
Molecular Formula:
C17H16N2
Molecular Weight:
248.3223
IUPAC Name:
4-[1-[4-(dimethylamino)phenyl]ethenyl]benzonitrile
InChI:
InChI=1S/C17H16N2/c1-13(15-6-4-14(12-18)5-7-15)16-8-10-17(11-9-16)19(2)3/h4-11H,1H2,2-3H3
InChI Key:
PLQFHXIQULGQCG-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)C(=C)c1ccc(cc1)N(C)C
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.131g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.329g/mol
Monoisotopic Mass:
248.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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