Home Halogens 2-(4-chlorophenyl)-2-ethylbutanoic acid

2-(4-chlorophenyl)-2-ethylbutanoic acid

CAS No.:
92960-29-7
Catalog Number:
AG01A9J1
Molecular Formula:
C12H15ClO2
Molecular Weight:
226.6993
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Product Description
Catalog Number:
AG01A9J1
Chemical Name:
2-(4-chlorophenyl)-2-ethylbutanoic acid
CAS Number:
92960-29-7
Molecular Formula:
C12H15ClO2
Molecular Weight:
226.6993
MDL Number:
MFCD12816622
IUPAC Name:
2-(4-chlorophenyl)-2-ethylbutanoic acid
InChI:
InChI=1S/C12H15ClO2/c1-3-12(4-2,11(14)15)9-5-7-10(13)8-6-9/h5-8H,3-4H2,1-2H3,(H,14,15)
InChI Key:
DQXQQLGHQNYCHK-UHFFFAOYSA-N
SMILES:
CCC(c1ccc(cc1)Cl)(C(=O)O)CC
Properties
Complexity:
216  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.076g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
226.7g/mol
Monoisotopic Mass:
226.076g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties