Home Halogens 3-chloro-5-ethoxy-4-propoxybenzaldehyde

3-chloro-5-ethoxy-4-propoxybenzaldehyde

CAS No.:
743456-82-8
Catalog Number:
AG00ICII
Molecular Formula:
C12H15ClO3
Molecular Weight:
242.6987
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Product Description
Catalog Number:
AG00ICII
Chemical Name:
3-chloro-5-ethoxy-4-propoxybenzaldehyde
CAS Number:
743456-82-8
Molecular Formula:
C12H15ClO3
Molecular Weight:
242.6987
MDL Number:
MFCD02256411
IUPAC Name:
3-chloro-5-ethoxy-4-propoxybenzaldehyde
InChI:
InChI=1S/C12H15ClO3/c1-3-5-16-12-10(13)6-9(8-14)7-11(12)15-4-2/h6-8H,3-5H2,1-2H3
InChI Key:
QZBKKPVUZGCHTN-UHFFFAOYSA-N
SMILES:
CCCOc1c(Cl)cc(cc1OCC)C=O
Properties
Complexity:
210  
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:
6  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties