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207400-12-2 | 2-Benzothiazoleacetonitrile,6-ethoxy-(9CI)
CAS No: 207400-12-2 Catalog No: AG00BLVR MDL No:MFCD14584942
Product Description
Catalog Number:
AG00BLVR
Chemical Name:
2-Benzothiazoleacetonitrile,6-ethoxy-(9CI)
CAS Number:
207400-12-2
Molecular Formula:
C11H10N2OS
Molecular Weight:
218.2749
MDL Number:
MFCD14584942
IUPAC Name:
2-(6-ethoxy-1,3-benzothiazol-2-yl)acetonitrile
InChI:
InChI=1S/C11H10N2OS/c1-2-14-8-3-4-9-10(7-8)15-11(13-9)5-6-12/h3-4,7H,2,5H2,1H3
InChI Key:
LIFUNHGTZYPDGD-UHFFFAOYSA-N
SMILES:
CCOc1ccc2c(c1)sc(n2)CC#N
Properties
Complexity:
263
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:
74.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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