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84012-54-4 | 1,2-Benzisothiazol-3(2H)-one,2-(4-morpholinylmethyl)-
CAS No: 84012-54-4 Catalog No: AG008HBF MDL No:
Product Description
Catalog Number:
AG008HBF
Chemical Name:
1,2-Benzisothiazol-3(2H)-one,2-(4-morpholinylmethyl)-
CAS Number:
84012-54-4
Molecular Formula:
C12H14N2O2S
Molecular Weight:
250.3168
IUPAC Name:
2-(morpholin-4-ylmethyl)-1,2-benzothiazol-3-one
InChI:
InChI=1S/C12H14N2O2S/c15-12-10-3-1-2-4-11(10)17-14(12)9-13-5-7-16-8-6-13/h1-4H,5-9H2
InChI Key:
BYDCJQINJGGKLU-UHFFFAOYSA-N
SMILES:
O=c1n(CN2CCOCC2)sc2c1cccc2
EC Number:
281-694-4
UNII:
7HYR10SN3W
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.078g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.316g/mol
Monoisotopic Mass:
250.078g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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