Home Halogens 5-chlorobicyclo[4.2.0]octa-1,3,5-trien-7-one

5-chlorobicyclo[4.2.0]octa-1,3,5-trien-7-one

CAS No.:
81447-63-4
Catalog Number:
AG01DST1
Molecular Formula:
C8H5ClO
Molecular Weight:
152.5777
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Product Description
Catalog Number:
AG01DST1
Chemical Name:
5-chlorobicyclo[4.2.0]octa-1,3,5-trien-7-one
CAS Number:
81447-63-4
Molecular Formula:
C8H5ClO
Molecular Weight:
152.5777
MDL Number:
MFCD01652384
IUPAC Name:
5-chlorobicyclo[4.2.0]octa-1(6),2,4-trien-7-one
InChI:
InChI=1S/C8H5ClO/c9-6-3-1-2-5-4-7(10)8(5)6/h1-3H,4H2
InChI Key:
MRSHZFYWLHRVTR-UHFFFAOYSA-N
SMILES:
Clc1cccc2c1C(=O)C2
Properties
Complexity:
167  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.003g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.577g/mol
Monoisotopic Mass:
152.003g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties