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88281-82-7 | Acetic acid, (2-benzothiazolylhydrazono)-, methyl ester
CAS No: 88281-82-7 Catalog No: AG004A9F MDL No:
Product Description
Catalog Number:
AG004A9F
Chemical Name:
Acetic acid, (2-benzothiazolylhydrazono)-, methyl ester
CAS Number:
88281-82-7
Molecular Formula:
C10H9N3O2S
Molecular Weight:
235.2624
IUPAC Name:
methyl 2-(1,3-benzothiazol-2-ylhydrazinylidene)acetate
InChI:
InChI=1S/C10H9N3O2S/c1-15-9(14)6-11-13-10-12-7-4-2-3-5-8(7)16-10/h2-6H,1H3,(H,12,13)
InChI Key:
SWNCVQUFVORJOP-UHFFFAOYSA-N
SMILES:
COC(=O)C=NNc1nc2c(s1)cccc2
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.042g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.261g/mol
Monoisotopic Mass:
235.042g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
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