Home Halogens 2-(3,5-dichlorophenyl)-2-oxoacetic acid

2-(3,5-dichlorophenyl)-2-oxoacetic acid

CAS No.:
1321518-25-5
Catalog Number:
AG01BUT1
Molecular Formula:
C8H4Cl2O3
Molecular Weight:
219.0216
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Product Description
Catalog Number:
AG01BUT1
Chemical Name:
2-(3,5-dichlorophenyl)-2-oxoacetic acid
CAS Number:
1321518-25-5
Molecular Formula:
C8H4Cl2O3
Molecular Weight:
219.0216
MDL Number:
MFCD16293595
IUPAC Name:
2-(3,5-dichlorophenyl)-2-oxoacetic acid
InChI:
InChI=1S/C8H4Cl2O3/c9-5-1-4(2-6(10)3-5)7(11)8(12)13/h1-3H,(H,12,13)
InChI Key:
MMCOTMRRXSOFLF-UHFFFAOYSA-N
SMILES:
O=C(c1cc(Cl)cc(c1)Cl)C(=O)O
Properties
Complexity:
219  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.954g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
219.017g/mol
Monoisotopic Mass:
217.954g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties