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110226-87-4 | 2(3H)-Benzothiazolone, 3-acetyl-, 2-hydrazone
CAS No: 110226-87-4 Catalog No: AG007VFN MDL No:
Product Description
Catalog Number:
AG007VFN
Chemical Name:
2(3H)-Benzothiazolone, 3-acetyl-, 2-hydrazone
CAS Number:
110226-87-4
Molecular Formula:
C9H9N3OS
Molecular Weight:
207.2523
IUPAC Name:
1-(2-hydrazinylidene-1,3-benzothiazol-3-yl)ethanone
InChI:
InChI=1S/C9H9N3OS/c1-6(13)12-7-4-2-3-5-8(7)14-9(12)11-10/h2-5H,10H2,1H3
InChI Key:
JXIGLQVIIUPASA-UHFFFAOYSA-N
SMILES:
NN=c1sc2c(n1C(=O)C)cccc2
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.047g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.251g/mol
Monoisotopic Mass:
207.047g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
84A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.6
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