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Home > Aldehydes > 102657-71-6
102657-71-6 | Benzaldehyde, 3-chloro-4-(dodecyloxy)-
CAS No: 102657-71-6 Catalog No: AG000814 MDL No:
Product Description
Catalog Number:
AG000814
Chemical Name:
Benzaldehyde, 3-chloro-4-(dodecyloxy)-
CAS Number:
102657-71-6
Molecular Formula:
C19H29ClO2
Molecular Weight:
324.8854
IUPAC Name:
3-chloro-4-dodecoxybenzaldehyde
InChI:
InChI=1S/C19H29ClO2/c1-2-3-4-5-6-7-8-9-10-11-14-22-19-13-12-17(16-21)15-18(19)20/h12-13,15-16H,2-11,14H2,1H3
InChI Key:
NBJWSARBVCFWAS-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCOc1ccc(cc1Cl)C=O
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.186g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
324.889g/mol
Monoisotopic Mass:
324.186g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.6
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