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Home > Thiazole > 1316218-36-6
1316218-36-6 | 2-Thiazolecarbonitrile, 4-phenyl-
CAS No: 1316218-36-6 Catalog No: AG000ZIJ MDL No:MFCD22493453
Product Description
Catalog Number:
AG000ZIJ
Chemical Name:
2-Thiazolecarbonitrile, 4-phenyl-
CAS Number:
1316218-36-6
Molecular Formula:
C10H6N2S
Molecular Weight:
186.2330
MDL Number:
MFCD22493453
IUPAC Name:
5-phenyl-1,3-thiazole-2-carbonitrile
InChI:
InChI=1S/C10H6N2S/c11-6-10-12-7-9(13-10)8-4-2-1-3-5-8/h1-5,7H
InChI Key:
NMASKEKEMZPIOW-UHFFFAOYSA-N
SMILES:
N#Cc1scc(n1)c1ccccc1
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.025g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.232g/mol
Monoisotopic Mass:
186.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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