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17969-48-1 | 2-Thiazoleacetonitrile, 4-(4-chlorophenyl)-
CAS No: 17969-48-1 Catalog No: AG00277F MDL No:MFCD00052875
Product Description
Catalog Number:
AG00277F
Chemical Name:
2-Thiazoleacetonitrile, 4-(4-chlorophenyl)-
CAS Number:
17969-48-1
Molecular Formula:
C11H7ClN2S
Molecular Weight:
234.7047
MDL Number:
MFCD00052875
IUPAC Name:
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetonitrile
InChI:
InChI=1S/C11H7ClN2S/c12-9-3-1-8(2-4-9)10-7-15-11(14-10)5-6-13/h1-4,7H,5H2
InChI Key:
CECOBIWITUICNO-UHFFFAOYSA-N
SMILES:
N#CCc1scc(n1)c1ccc(cc1)Cl
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.002g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.701g/mol
Monoisotopic Mass:
234.002g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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