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41381-89-9 | 2-(4-PHENYL-1,3-THIAZOL-2-YL)ACETONITRILE
CAS No: 41381-89-9 Catalog No: AG00BZIU MDL No:MFCD00551791
Product Description
Catalog Number:
AG00BZIU
Chemical Name:
2-(4-PHENYL-1,3-THIAZOL-2-YL)ACETONITRILE
CAS Number:
41381-89-9
Molecular Formula:
C11H8N2S
Molecular Weight:
200.2596
MDL Number:
MFCD00551791
IUPAC Name:
2-(4-phenyl-1,3-thiazol-2-yl)acetonitrile
InChI:
InChI=1S/C11H8N2S/c12-7-6-11-13-10(8-14-11)9-4-2-1-3-5-9/h1-5,8H,6H2
InChI Key:
SOFCSIBVJROWGI-UHFFFAOYSA-N
SMILES:
N#CCc1scc(n1)c1ccccc1
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.041g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.259g/mol
Monoisotopic Mass:
200.041g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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