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41570-03-0 | Phenol, 2-(2,3-dihydro-2-benzothiazolyl)-6-methoxy-
CAS No: 41570-03-0 Catalog No: AG0071TW MDL No:
Product Description
Catalog Number:
AG0071TW
Chemical Name:
Phenol, 2-(2,3-dihydro-2-benzothiazolyl)-6-methoxy-
CAS Number:
41570-03-0
Molecular Formula:
C14H13NO2S
Molecular Weight:
259.3235
IUPAC Name:
2-(2,3-dihydro-1,3-benzothiazol-2-yl)-6-methoxyphenol
InChI:
InChI=1S/C14H13NO2S/c1-17-11-7-4-5-9(13(11)16)14-15-10-6-2-3-8-12(10)18-14/h2-8,14-16H,1H3
InChI Key:
OBIUBDLLWWRQBF-UHFFFAOYSA-N
SMILES:
COc1cccc(c1O)C1Nc2c(S1)cccc2
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.067g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
259.323g/mol
Monoisotopic Mass:
259.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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