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38292-82-9 | 2-Benzothiazolecarbonitrile,6-(acetyloxy)-(9CI)
CAS No: 38292-82-9 Catalog No: AG00CPBS MDL No:
Product Description
Catalog Number:
AG00CPBS
Chemical Name:
2-Benzothiazolecarbonitrile,6-(acetyloxy)-(9CI)
CAS Number:
38292-82-9
IUPAC Name:
(2-cyano-1,3-benzothiazol-6-yl) acetate
InChI:
InChI=1S/C10H6N2O2S/c1-6(13)14-7-2-3-8-9(4-7)15-10(5-11)12-8/h2-4H,1H3
InChI Key:
RRVAKBQPPFCPKC-UHFFFAOYSA-N
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.015g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.23g/mol
Monoisotopic Mass:
218.015g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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