Home Halogens 4-Sec-butoxy-3-chloro-5-methoxybenzaldehyde

4-Sec-butoxy-3-chloro-5-methoxybenzaldehyde

CAS No.:
872183-59-0
Catalog Number:
AG004JE7
Molecular Formula:
C12H15ClO3
Molecular Weight:
242.6987
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$96
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Product Description
Catalog Number:
AG004JE7
Chemical Name:
4-Sec-butoxy-3-chloro-5-methoxybenzaldehyde
CAS Number:
872183-59-0
Molecular Formula:
C12H15ClO3
Molecular Weight:
242.6987
MDL Number:
MFCD02629670
IUPAC Name:
4-butan-2-yloxy-3-chloro-5-methoxybenzaldehyde
InChI:
InChI=1S/C12H15ClO3/c1-4-8(2)16-12-10(13)5-9(7-14)6-11(12)15-3/h5-8H,4H2,1-3H3
InChI Key:
MCQWSEMSJCICFW-UHFFFAOYSA-N
SMILES:
CCC(Oc1c(Cl)cc(cc1OC)C=O)C
Properties
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.071g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.699g/mol
Monoisotopic Mass:
242.071g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties