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332045-71-3 | (2E)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enenitrile
CAS No: 332045-71-3 Catalog No: AG00IYY7 MDL No:MFCD00716026
Product Description
Catalog Number:
AG00IYY7
Chemical Name:
(2E)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enenitrile
CAS Number:
332045-71-3
Molecular Formula:
C19H14N2OS
Molecular Weight:
318.3923
MDL Number:
MFCD00716026
IUPAC Name:
2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enenitrile
InChI:
InChI=1S/C19H14N2OS/c1-22-17-9-7-15(8-10-17)18-13-23-19(21-18)16(12-20)11-14-5-3-2-4-6-14/h2-11,13H,1H3
InChI Key:
NDGPUUAEFBTKGD-UHFFFAOYSA-N
SMILES:
N#C/C(=C\c1ccccc1)/c1scc(n1)c1ccc(cc1)OC
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.083g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.394g/mol
Monoisotopic Mass:
318.083g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.4
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