Home Halogens 1-(3,4-dichloro-2-hydroxyphenyl)ethan-1-one

1-(3,4-dichloro-2-hydroxyphenyl)ethan-1-one

CAS No.:
55736-71-5
Catalog Number:
AG01A9Q8
Molecular Formula:
C8H6Cl2O2
Molecular Weight:
205.0380
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Product Description
Catalog Number:
AG01A9Q8
Chemical Name:
1-(3,4-dichloro-2-hydroxyphenyl)ethan-1-one
CAS Number:
55736-71-5
Molecular Formula:
C8H6Cl2O2
Molecular Weight:
205.0380
MDL Number:
MFCD16817427
IUPAC Name:
1-(3,4-dichloro-2-hydroxyphenyl)ethanone
InChI:
InChI=1S/C8H6Cl2O2/c1-4(11)5-2-3-6(9)7(10)8(5)12/h2-3,12H,1H3
InChI Key:
IAPWSRGXLFGVQR-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc(c(c1O)Cl)Cl
Properties
Complexity:
184  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.974g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
205.034g/mol
Monoisotopic Mass:
203.974g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties