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2875-32-3 | Acetic acid, 2-(2-benzothiazolyloxy)-
CAS No: 2875-32-3 Catalog No: AG002WCS MDL No:MFCD07368969
Product Description
Catalog Number:
AG002WCS
Chemical Name:
Acetic acid, 2-(2-benzothiazolyloxy)-
CAS Number:
2875-32-3
Molecular Formula:
C9H7NO3S
Molecular Weight:
209.2218
MDL Number:
MFCD07368969
IUPAC Name:
2-(1,3-benzothiazol-2-yloxy)acetic acid
InChI:
InChI=1S/C9H7NO3S/c11-8(12)5-13-9-10-6-3-1-2-4-7(6)14-9/h1-4H,5H2,(H,11,12)
InChI Key:
OPQIOIYLAKHILI-UHFFFAOYSA-N
SMILES:
OC(=O)COc1nc2c(s1)cccc2
NSC Number:
53408
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.015g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.219g/mol
Monoisotopic Mass:
209.015g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Simultaneous determination of herbicide mefenacet and its metabolites residues in river water by solid phase extraction and rapid resolution liquid chromatography-mass spectrometry with pre-column derivatization. | Journal of chromatography. A 20090410 |
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