Home Halogens 4-butoxy-2-chlorobenzoic acid

4-butoxy-2-chlorobenzoic acid

CAS No.:
95736-31-5
Catalog Number:
AG01ACTB
Molecular Formula:
C11H13ClO3
Molecular Weight:
228.6721
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Product Description
Catalog Number:
AG01ACTB
Chemical Name:
4-butoxy-2-chlorobenzoic acid
CAS Number:
95736-31-5
Molecular Formula:
C11H13ClO3
Molecular Weight:
228.6721
MDL Number:
MFCD00599178
IUPAC Name:
4-butoxy-2-chlorobenzoic acid
InChI:
InChI=1S/C11H13ClO3/c1-2-3-6-15-8-4-5-9(11(13)14)10(12)7-8/h4-5,7H,2-3,6H2,1H3,(H,13,14)
InChI Key:
HLHJLZGHQGHWKG-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(c(c1)Cl)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:
3.4  
Properties