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65840-53-1 | 5-Benzothiazolecarbonitrile,2-acetyl-(9CI)
CAS No: 65840-53-1 Catalog No: AG00FJWM MDL No:
Product Description
Catalog Number:
AG00FJWM
Chemical Name:
5-Benzothiazolecarbonitrile,2-acetyl-(9CI)
CAS Number:
65840-53-1
IUPAC Name:
2-acetyl-1,3-benzothiazole-5-carbonitrile
InChI:
InChI=1S/C10H6N2OS/c1-6(13)10-12-8-4-7(5-11)2-3-9(8)14-10/h2-4H,1H3
InChI Key:
VGMWZVSWZJCJAK-UHFFFAOYSA-N
Properties
Complexity:
296
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:
1
Topological Polar Surface Area:
82A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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