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37839-44-4 | 2-(1,2-benzothiazol-3-yl)acetonitrile
CAS No: 37839-44-4 Catalog No: AG01C2LP MDL No:MFCD01830324
Product Description
Catalog Number:
AG01C2LP
Chemical Name:
2-(1,2-benzothiazol-3-yl)acetonitrile
CAS Number:
37839-44-4
MDL Number:
MFCD01830324
IUPAC Name:
2-(1,2-benzothiazol-3-yl)acetonitrile
InChI:
InChI=1S/C9H6N2S/c10-6-5-8-7-3-1-2-4-9(7)12-11-8/h1-4H,5H2
InChI Key:
ABFZQFLAPMDSLN-UHFFFAOYSA-N
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.025g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.221g/mol
Monoisotopic Mass:
174.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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