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72740-58-0

72740-58-0 | (2E)-3-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile

CAS No: 72740-58-0 Catalog No: AG00IYY9 MDL No:MFCD00583887

Product Description

Catalog Number:
AG00IYY9
Chemical Name:
(2E)-3-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
CAS Number:
72740-58-0
Molecular Formula:
C18H12N2S
Molecular Weight:
288.3663
MDL Number:
MFCD00583887
IUPAC Name:
3-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
InChI:
InChI=1S/C18H12N2S/c19-12-16(11-14-7-3-1-4-8-14)18-20-17(13-21-18)15-9-5-2-6-10-15/h1-11,13H
InChI Key:
HASYGYFEXQRRMK-UHFFFAOYSA-N
SMILES:
N#C/C(=C\c1ccccc1)/c1scc(n1)c1ccccc1

Properties

Complexity:
410  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.072g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.368g/mol
Monoisotopic Mass:
288.072g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
4.4  

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