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2958-46-5 | Benzeneacetonitrile, 4-chloro-α-[[4-(dimethylamino)phenyl]methylene]-
CAS No: 2958-46-5 Catalog No: AG002YTJ MDL No:
Product Description
Catalog Number:
AG002YTJ
Chemical Name:
Benzeneacetonitrile, 4-chloro-α-[[4-(dimethylamino)phenyl]methylene]-
CAS Number:
2958-46-5
Molecular Formula:
C17H15ClN2
Molecular Weight:
282.7674
IUPAC Name:
2-(4-chlorophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile
InChI:
InChI=1S/C17H15ClN2/c1-20(2)17-9-3-13(4-10-17)11-15(12-19)14-5-7-16(18)8-6-14/h3-11H,1-2H3
InChI Key:
JYSGNKFGNNTQNO-UHFFFAOYSA-N
SMILES:
N#CC(=Cc1ccc(cc1)N(C)C)c1ccc(cc1)Cl
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.092g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.771g/mol
Monoisotopic Mass:
282.092g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.5
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