Home Aldehydes 5-Chloro-2-(3-methylbutoxy)benzaldehyde

5-Chloro-2-(3-methylbutoxy)benzaldehyde

CAS No.:
81995-29-1
Catalog Number:
AG008KRB
Molecular Formula:
C12H15ClO2
Molecular Weight:
226.6993
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$168
- +
5g
95%
In Stock USA
United States
$444
- +
Product Description
Catalog Number:
AG008KRB
Chemical Name:
5-Chloro-2-(3-methylbutoxy)benzaldehyde
CAS Number:
81995-29-1
Molecular Formula:
C12H15ClO2
Molecular Weight:
226.6993
MDL Number:
MFCD03422444
IUPAC Name:
5-chloro-2-(3-methylbutoxy)benzaldehyde
InChI:
InChI=1S/C12H15ClO2/c1-9(2)5-6-15-12-4-3-11(13)7-10(12)8-14/h3-4,7-9H,5-6H2,1-2H3
InChI Key:
UEQAKLJVVSXIMK-UHFFFAOYSA-N
SMILES:
O=Cc1cc(Cl)ccc1OCCC(C)C
Properties
Complexity:
194  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.076g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.7g/mol
Monoisotopic Mass:
226.076g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties