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301235-86-9 | 2-Thiazoleacetonitrile, 4-(4-methoxyphenyl)-
CAS No: 301235-86-9 Catalog No: AG007JHW MDL No:MFCD00839066
Product Description
Catalog Number:
AG007JHW
Chemical Name:
2-Thiazoleacetonitrile, 4-(4-methoxyphenyl)-
CAS Number:
301235-86-9
Molecular Formula:
C12H10N2OS
Molecular Weight:
230.2856
MDL Number:
MFCD00839066
IUPAC Name:
2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetonitrile
InChI:
InChI=1S/C12H10N2OS/c1-15-10-4-2-9(3-5-10)11-8-16-12(14-11)6-7-13/h2-5,8H,6H2,1H3
InChI Key:
PVJHQECSHPIPKG-UHFFFAOYSA-N
SMILES:
N#CCc1scc(n1)c1ccc(cc1)OC
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.051g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.285g/mol
Monoisotopic Mass:
230.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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