Home Halogens 2-chloro-4-cyclobutoxybenzoic acid

2-chloro-4-cyclobutoxybenzoic acid

CAS No.:
1341286-03-0
Catalog Number:
AG01A2XH
Molecular Formula:
C11H11ClO3
Molecular Weight:
226.6562
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Product Description
Catalog Number:
AG01A2XH
Chemical Name:
2-chloro-4-cyclobutoxybenzoic acid
CAS Number:
1341286-03-0
Molecular Formula:
C11H11ClO3
Molecular Weight:
226.6562
MDL Number:
MFCD17256610
IUPAC Name:
2-chloro-4-cyclobutyloxybenzoic acid
InChI:
InChI=1S/C11H11ClO3/c12-10-6-8(15-7-2-1-3-7)4-5-9(10)11(13)14/h4-7H,1-3H2,(H,13,14)
InChI Key:
JTWYJJSBVXMGEY-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1Cl)OC1CCC1
Properties
Complexity:
240  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.04g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
226.656g/mol
Monoisotopic Mass:
226.04g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties