Home Halogens 3-Butoxy-4-chlorobenzoic acid

3-Butoxy-4-chlorobenzoic acid

CAS No.:
1280786-97-1
Catalog Number:
AG000XS5
Molecular Formula:
C11H13ClO3
Molecular Weight:
228.6721
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$50
- +
5g
98%
In Stock USA
United States
$150
- +
25g
98%
In Stock USA
United States
$450
- +
100g
98%
In Stock USA
United States
$1225
- +
Product Description
Catalog Number:
AG000XS5
Chemical Name:
3-Butoxy-4-chlorobenzoic acid
CAS Number:
1280786-97-1
Molecular Formula:
C11H13ClO3
Molecular Weight:
228.6721
MDL Number:
MFCD18434437
IUPAC Name:
3-butoxy-4-chlorobenzoic acid
InChI:
InChI=1S/C11H13ClO3/c1-2-3-6-15-10-7-8(11(13)14)4-5-9(10)12/h4-5,7H,2-3,6H2,1H3,(H,13,14)
InChI Key:
VRKIJXYNWBDRJJ-UHFFFAOYSA-N
SMILES:
CCCCOc1cc(ccc1Cl)C(=O)O
Properties
Complexity:
208  
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:
5  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties