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68755-10-2 | 4-n-Butoxy-3-chlorobenzaldehyde
CAS No: 68755-10-2 Catalog No: AG01EWYM MDL No:
Product Description
Catalog Number:
AG01EWYM
Chemical Name:
4-n-Butoxy-3-chlorobenzaldehyde
CAS Number:
68755-10-2
Molecular Formula:
C11H13ClO2
Molecular Weight:
212.6727
IUPAC Name:
4-butoxy-3-chlorobenzaldehyde
InChI:
InChI=1S/C11H13ClO2/c1-2-3-6-14-11-5-4-9(8-13)7-10(11)12/h4-5,7-8H,2-3,6H2,1H3
InChI Key:
PBEHMNPUZDWCAZ-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1Cl)C=O
Properties
Complexity:
173
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:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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