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277308-31-3 | (2E)-3-(furan-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
CAS No: 277308-31-3 Catalog No: AG00IVTQ MDL No:MFCD00807578
Product Description
Catalog Number:
AG00IVTQ
Chemical Name:
(2E)-3-(furan-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
CAS Number:
277308-31-3
Molecular Formula:
C16H10N2OS
Molecular Weight:
278.3284
MDL Number:
MFCD00807578
IUPAC Name:
3-(furan-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
InChI:
InChI=1S/C16H10N2OS/c17-10-13(9-14-7-4-8-19-14)16-18-15(11-20-16)12-5-2-1-3-6-12/h1-9,11H
InChI Key:
SSRQBWIPDFIOQZ-UHFFFAOYSA-N
SMILES:
N#C/C(=C\c1ccco1)/c1scc(n1)c1ccccc1
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.051g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.329g/mol
Monoisotopic Mass:
278.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
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