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116209-33-7 | 2(3H)-Benzofuranone, 3-(3-chloro-4-hydroxyphenyl)-6-hydroxy-
CAS No: 116209-33-7 Catalog No: AG000BXZ MDL No:
Product Description
Catalog Number:
AG000BXZ
Chemical Name:
2(3H)-Benzofuranone, 3-(3-chloro-4-hydroxyphenyl)-6-hydroxy-
CAS Number:
116209-33-7
Molecular Formula:
C14H9ClO4
Molecular Weight:
276.6719
IUPAC Name:
3-(3-chloro-4-hydroxyphenyl)-6-hydroxy-3H-1-benzofuran-2-one
InChI:
InChI=1S/C14H9ClO4/c15-10-5-7(1-4-11(10)17)13-9-3-2-8(16)6-12(9)19-14(13)18/h1-6,13,16-17H
InChI Key:
MHDPMADTQGLABB-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)OC(=O)C2c1ccc(c(c1)Cl)O
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.019g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
276.672g/mol
Monoisotopic Mass:
276.019g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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