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116269-71-7 | 5-Thiazolecarbonitrile, 2,3-dihydro-2-oxo-4-phenyl-
CAS No: 116269-71-7 Catalog No: AG000C2Q MDL No:
Product Description
Catalog Number:
AG000C2Q
Chemical Name:
5-Thiazolecarbonitrile, 2,3-dihydro-2-oxo-4-phenyl-
CAS Number:
116269-71-7
Molecular Formula:
C10H6N2OS
Molecular Weight:
202.2324
IUPAC Name:
2-oxo-4-phenyl-3H-1,3-thiazole-5-carbonitrile
InChI:
InChI=1S/C10H6N2OS/c11-6-8-9(12-10(13)14-8)7-4-2-1-3-5-7/h1-5H,(H,12,13)
InChI Key:
AWCKYVGJPKHCPC-UHFFFAOYSA-N
SMILES:
N#Cc1sc(=O)[nH]c1c1ccccc1
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.02g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.231g/mol
Monoisotopic Mass:
202.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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