Home Halogens 4-Sec-butoxy-3-chlorobenzaldehyde

4-Sec-butoxy-3-chlorobenzaldehyde

CAS No.:
339546-96-2
Catalog Number:
AG00C8OA
Molecular Formula:
C11H13ClO2
Molecular Weight:
212.6727
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$96
- +
5g
95%
In Stock USA
United States
$216
- +
Product Description
Catalog Number:
AG00C8OA
Chemical Name:
4-Sec-butoxy-3-chlorobenzaldehyde
CAS Number:
339546-96-2
Molecular Formula:
C11H13ClO2
Molecular Weight:
212.6727
MDL Number:
MFCD02629660
IUPAC Name:
4-butan-2-yloxy-3-chlorobenzaldehyde
InChI:
InChI=1S/C11H13ClO2/c1-3-8(2)14-11-5-4-9(7-13)6-10(11)12/h4-8H,3H2,1-2H3
InChI Key:
ZOTLCXPBMHFBEX-UHFFFAOYSA-N
SMILES:
CCC(Oc1ccc(cc1Cl)C=O)C
Properties
Complexity:
184  
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:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties