Home Aldehydes 5-Chloro-2-isobutoxybenzaldehyde

5-Chloro-2-isobutoxybenzaldehyde

CAS No.:
27590-77-8
Catalog Number:
AG002U6E
Molecular Formula:
C11H13ClO2
Molecular Weight:
212.6727
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:
AG002U6E
Chemical Name:
5-Chloro-2-isobutoxybenzaldehyde
CAS Number:
27590-77-8
Molecular Formula:
C11H13ClO2
Molecular Weight:
212.6727
MDL Number:
MFCD03422442
IUPAC Name:
5-chloro-2-(2-methylpropoxy)benzaldehyde
InChI:
InChI=1S/C11H13ClO2/c1-8(2)7-14-11-4-3-10(12)5-9(11)6-13/h3-6,8H,7H2,1-2H3
InChI Key:
NPNJQVRTLWNEAT-UHFFFAOYSA-N
SMILES:
O=Cc1cc(Cl)ccc1OCC(C)C
Properties
Complexity:
182  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.06g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.673g/mol
Monoisotopic Mass:
212.06g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties