Home Other Building Blocks 5-CHLOROISOBENZOFURAN-1(3H)-ONE

5-CHLOROISOBENZOFURAN-1(3H)-ONE

CAS No.:
28033-47-8
Catalog Number:
AG00CEMF
Molecular Formula:
C8H5ClO2
Molecular Weight:
168.5771
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Product Description
Catalog Number:
AG00CEMF
Chemical Name:
5-CHLOROISOBENZOFURAN-1(3H)-ONE
CAS Number:
28033-47-8
Molecular Formula:
C8H5ClO2
Molecular Weight:
168.5771
MDL Number:
MFCD09842447
IUPAC Name:
5-chloro-3H-1-benzofuran-2-one
InChI:
InChI=1S/C8H5ClO2/c9-6-1-2-7-5(3-6)4-8(10)11-7/h1-3H,4H2
InChI Key:
PSVXTJFRMXQUCP-UHFFFAOYSA-N
SMILES:
O=C1Oc2c(C1)cc(cc2)Cl
EC Number:
608-160-9
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  
Properties