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3260-78-4 | 6-Chloro-3-benzofuranone
CAS No: 3260-78-4 Catalog No: AG003N6C MDL No:MFCD06738725
Product Description
Catalog Number:
AG003N6C
Chemical Name:
6-Chloro-3-benzofuranone
CAS Number:
3260-78-4
Molecular Formula:
C8H5ClO2
Molecular Weight:
168.5771
MDL Number:
MFCD06738725
IUPAC Name:
6-chloro-1-benzofuran-3-one
InChI:
InChI=1S/C8H5ClO2/c9-5-1-2-6-7(10)4-11-8(6)3-5/h1-3H,4H2
InChI Key:
QSYZLDHZMYWEKL-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)OCC2=O
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.998g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.576g/mol
Monoisotopic Mass:
167.998g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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