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100537-44-8 | 1,2-Benzisothiazol-3(2H)-one, 2-[[(2-hydroxyphenyl)methylene]amino]-
CAS No: 100537-44-8 Catalog No: AG0002AG MDL No:
Product Description
Catalog Number:
AG0002AG
Chemical Name:
1,2-Benzisothiazol-3(2H)-one, 2-[[(2-hydroxyphenyl)methylene]amino]-
CAS Number:
100537-44-8
Molecular Formula:
C14H10N2O2S
Molecular Weight:
270.3064
IUPAC Name:
2-[(2-hydroxyphenyl)methylideneamino]-1,2-benzothiazol-3-one
InChI:
InChI=1S/C14H10N2O2S/c17-12-7-3-1-5-10(12)9-15-16-14(18)11-6-2-4-8-13(11)19-16/h1-9,17H
InChI Key:
MKZIFAPLZKYZMW-UHFFFAOYSA-N
SMILES:
Oc1ccccc1C=Nn1sc2c(c1=O)cccc2
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.046g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.306g/mol
Monoisotopic Mass:
270.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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