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175276-95-6 | Acetonitrile, 2-[4-(4,5-dihydro-2-thiazolyl)phenoxy]-
CAS No: 175276-95-6 Catalog No: AG0020RL MDL No:MFCD00052942
Product Description
Catalog Number:
AG0020RL
Chemical Name:
Acetonitrile, 2-[4-(4,5-dihydro-2-thiazolyl)phenoxy]-
CAS Number:
175276-95-6
Molecular Formula:
C11H10N2OS
Molecular Weight:
218.2749
MDL Number:
MFCD00052942
IUPAC Name:
2-[4-(4,5-dihydro-1,3-thiazol-2-yl)phenoxy]acetonitrile
InChI:
InChI=1S/C11H10N2OS/c12-5-7-14-10-3-1-9(2-4-10)11-13-6-8-15-11/h1-4H,6-8H2
InChI Key:
GQEVWXYAFGXFEJ-UHFFFAOYSA-N
SMILES:
N#CCOc1ccc(cc1)C1=NCCS1
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.051g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.274g/mol
Monoisotopic Mass:
218.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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