Home Halogens 2-(3,4-dichlorophenyl)-2-ethylbutanoic acid

2-(3,4-dichlorophenyl)-2-ethylbutanoic acid

CAS No.:
1178279-26-9
Catalog Number:
AG01AAQ2
Molecular Formula:
C12H14Cl2O2
Molecular Weight:
261.1444
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Product Description
Catalog Number:
AG01AAQ2
Chemical Name:
2-(3,4-dichlorophenyl)-2-ethylbutanoic acid
CAS Number:
1178279-26-9
Molecular Formula:
C12H14Cl2O2
Molecular Weight:
261.1444
MDL Number:
MFCD12774744
IUPAC Name:
2-(3,4-dichlorophenyl)-2-ethylbutanoic acid
InChI:
InChI=1S/C12H14Cl2O2/c1-3-12(4-2,11(15)16)8-5-6-9(13)10(14)7-8/h5-7H,3-4H2,1-2H3,(H,15,16)
InChI Key:
PRLURMLDJMDTDM-UHFFFAOYSA-N
SMILES:
CCC(c1ccc(c(c1)Cl)Cl)(C(=O)O)CC
Properties
Complexity:
251  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.037g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
261.142g/mol
Monoisotopic Mass:
260.037g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  
Properties