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143869-62-9 | Acetic acid, 2-[(5-chloro-1,2-benzisoxazol-3-yl)oxy]-, ethyl ester
CAS No: 143869-62-9 Catalog No: AG001IHY MDL No:
Product Description
Catalog Number:
AG001IHY
Chemical Name:
Acetic acid, 2-[(5-chloro-1,2-benzisoxazol-3-yl)oxy]-, ethyl ester
CAS Number:
143869-62-9
Molecular Formula:
C11H10ClNO4
Molecular Weight:
255.6544
IUPAC Name:
ethyl 2-[(5-chloro-1,2-benzoxazol-3-yl)oxy]acetate
InChI:
InChI=1S/C11H10ClNO4/c1-2-15-10(14)6-16-11-8-5-7(12)3-4-9(8)17-13-11/h3-5H,2,6H2,1H3
InChI Key:
KPUCVOOYNRRGHO-UHFFFAOYSA-N
SMILES:
CCOC(=O)COc1noc2c1cc(Cl)cc2
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.03g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.654g/mol
Monoisotopic Mass:
255.03g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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