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179599-16-7 | 2-Benzothiazolepropanenitrile,beta-oxo-(9CI)
CAS No: 179599-16-7 Catalog No: AG00AN64 MDL No:
Product Description
Catalog Number:
AG00AN64
Chemical Name:
2-Benzothiazolepropanenitrile,beta-oxo-(9CI)
CAS Number:
179599-16-7
IUPAC Name:
3-(1,3-benzothiazol-2-yl)-3-oxopropanenitrile
InChI:
InChI=1S/C10H6N2OS/c11-6-5-8(13)10-12-7-3-1-2-4-9(7)14-10/h1-4H,5H2
InChI Key:
UBVFFVYGSOWKFW-UHFFFAOYSA-N
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.02g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.231g/mol
Monoisotopic Mass:
202.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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