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851399-94-5 | 2-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]acetonitrile
CAS No: 851399-94-5 Catalog No: AG019OYD MDL No:MFCD06380513
Product Description
Catalog Number:
AG019OYD
Chemical Name:
2-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]acetonitrile
CAS Number:
851399-94-5
Molecular Formula:
C13H8N2OS
Molecular Weight:
240.2804
MDL Number:
MFCD06380513
IUPAC Name:
2-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]acetonitrile
InChI:
InChI=1S/C13H8N2OS/c14-6-5-13-15-10(8-17-13)12-7-9-3-1-2-4-11(9)16-12/h1-4,7-8H,5H2
InChI Key:
CMNZBWIIQAXJSO-UHFFFAOYSA-N
SMILES:
N#CCc1scc(n1)c1cc2c(o1)cccc2
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.036g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.28g/mol
Monoisotopic Mass:
240.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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