Home Halogens 2-(4-chloro-2-methylphenoxy)pentanoic acid

2-(4-chloro-2-methylphenoxy)pentanoic acid

CAS No.:
91767-70-3
Catalog Number:
AG01EMVR
Molecular Formula:
C12H15ClO3
Molecular Weight:
242.6987
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Product Description
Catalog Number:
AG01EMVR
Chemical Name:
2-(4-chloro-2-methylphenoxy)pentanoic acid
CAS Number:
91767-70-3
Molecular Formula:
C12H15ClO3
Molecular Weight:
242.6987
MDL Number:
MFCD24357976
IUPAC Name:
2-(4-chloro-2-methylphenoxy)pentanoic acid
InChI:
InChI=1S/C12H15ClO3/c1-3-4-11(12(14)15)16-10-6-5-9(13)7-8(10)2/h5-7,11H,3-4H2,1-2H3,(H,14,15)
InChI Key:
ZHZGAUZWQHJWOG-UHFFFAOYSA-N
SMILES:
CCCC(C(=O)O)Oc1ccc(cc1C)Cl
Properties
Complexity:
232  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.071g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
242.699g/mol
Monoisotopic Mass:
242.071g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Properties