Home Other Building Blocks 4-Chloro-3-isobutoxybenzoic acid

4-Chloro-3-isobutoxybenzoic acid

CAS No.:
1280786-73-3
Catalog Number:
AG000XRP
Molecular Formula:
C11H13ClO3
Molecular Weight:
228.6721
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$75
- +
5g
98%
In Stock USA
United States
$225
- +
25g
98%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG000XRP
Chemical Name:
4-Chloro-3-isobutoxybenzoic acid
CAS Number:
1280786-73-3
Molecular Formula:
C11H13ClO3
Molecular Weight:
228.6721
MDL Number:
MFCD18434436
IUPAC Name:
4-chloro-3-(2-methylpropoxy)benzoic acid
InChI:
InChI=1S/C11H13ClO3/c1-7(2)6-15-10-5-8(11(13)14)3-4-9(10)12/h3-5,7H,6H2,1-2H3,(H,13,14)
InChI Key:
MIHGERMEJSCGDA-UHFFFAOYSA-N
SMILES:
CC(COc1cc(ccc1Cl)C(=O)O)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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties