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Home Halogens 4-(4-chlorophenyl)-3-methylbutanoic acid

4-(4-chlorophenyl)-3-methylbutanoic acid

CAS No.:
110600-53-8
Catalog Number:
AG01A4E2
Molecular Formula:
C11H13ClO2
Molecular Weight:
212.6727
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Product Description
Catalog Number:
AG01A4E2
Chemical Name:
4-(4-chlorophenyl)-3-methylbutanoic acid
CAS Number:
110600-53-8
Molecular Formula:
C11H13ClO2
Molecular Weight:
212.6727
MDL Number:
MFCD01029367
IUPAC Name:
4-(4-chlorophenyl)-3-methylbutanoic acid
InChI:
InChI=1S/C11H13ClO2/c1-8(7-11(13)14)6-9-2-4-10(12)5-3-9/h2-5,8H,6-7H2,1H3,(H,13,14)
InChI Key:
DYBYNFXXAQJRBN-UHFFFAOYSA-N
SMILES:
CC(Cc1ccc(cc1)Cl)CC(=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:
212.06g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
212.673g/mol
Monoisotopic Mass:
212.06g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Literature
Title Journal
Morphological and biochemical perturbations in rat erythrocytes following in vitro exposure to Fenvalerate and its metabolite. Toxicology in vitro : an international journal published in association with BIBRA 20050601
Properties