Home Halogens 2-(2,6-dichlorophenyl)propanoic acid

2-(2,6-dichlorophenyl)propanoic acid

CAS No.:
2012-78-4
Catalog Number:
AG01A92N
Molecular Formula:
C9H8Cl2O2
Molecular Weight:
219.0646
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Product Description
Catalog Number:
AG01A92N
Chemical Name:
2-(2,6-dichlorophenyl)propanoic acid
CAS Number:
2012-78-4
Molecular Formula:
C9H8Cl2O2
Molecular Weight:
219.0646
MDL Number:
MFCD11036862
IUPAC Name:
2-(2,6-dichlorophenyl)propanoic acid
InChI:
InChI=1S/C9H8Cl2O2/c1-5(9(12)13)8-6(10)3-2-4-7(8)11/h2-5H,1H3,(H,12,13)
InChI Key:
RKKDBMSOQDOIRB-UHFFFAOYSA-N
SMILES:
CC(c1c(Cl)cccc1Cl)C(=O)O
Properties
Complexity:
186  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.99g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
219.061g/mol
Monoisotopic Mass:
217.99g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties