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

2-(4-chlorophenyl)-4-methylpentanoic acid

CAS No.:
33127-05-8
Catalog Number:
AG01B2KO
Molecular Formula:
C12H15ClO2
Molecular Weight:
226.6993
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Product Description
Catalog Number:
AG01B2KO
Chemical Name:
2-(4-chlorophenyl)-4-methylpentanoic acid
CAS Number:
33127-05-8
Molecular Formula:
C12H15ClO2
Molecular Weight:
226.6993
MDL Number:
MFCD16314072
IUPAC Name:
2-(4-chlorophenyl)-4-methylpentanoic acid
InChI:
InChI=1S/C12H15ClO2/c1-8(2)7-11(12(14)15)9-3-5-10(13)6-4-9/h3-6,8,11H,7H2,1-2H3,(H,14,15)
InChI Key:
BAAITGFNANWTLE-UHFFFAOYSA-N
SMILES:
CC(CC(c1ccc(cc1)Cl)C(=O)O)C
Properties
Complexity:
208  
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:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties