Home Halogens 2-(3-chlorophenoxy)-3-methylbutanoic acid

2-(3-chlorophenoxy)-3-methylbutanoic acid

CAS No.:
1019372-32-7
Catalog Number:
AG01A44K
Molecular Formula:
C11H13ClO3
Molecular Weight:
228.6721
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Product Description
Catalog Number:
AG01A44K
Chemical Name:
2-(3-chlorophenoxy)-3-methylbutanoic acid
CAS Number:
1019372-32-7
Molecular Formula:
C11H13ClO3
Molecular Weight:
228.6721
MDL Number:
MFCD11127004
IUPAC Name:
2-(3-chlorophenoxy)-3-methylbutanoic acid
InChI:
InChI=1S/C11H13ClO3/c1-7(2)10(11(13)14)15-9-5-3-4-8(12)6-9/h3-7,10H,1-2H3,(H,13,14)
InChI Key:
ZXBVQYOLEDJCOA-UHFFFAOYSA-N
SMILES:
CC(C(C(=O)O)Oc1cccc(c1)Cl)C
Properties
Complexity:
218  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.055g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
228.672g/mol
Monoisotopic Mass:
228.055g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties