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100388-69-0 | 3-Chloro-4-n-pentoxybenzaldehyde
CAS No: 100388-69-0 Catalog No: AG01FEJ1 MDL No:
Product Description
Catalog Number:
AG01FEJ1
Chemical Name:
3-Chloro-4-n-pentoxybenzaldehyde
CAS Number:
100388-69-0
Molecular Formula:
C12H15ClO2
Molecular Weight:
226.6993
IUPAC Name:
3-chloro-4-pentoxybenzaldehyde
InChI:
InChI=1S/C12H15ClO2/c1-2-3-4-7-15-12-6-5-10(9-14)8-11(12)13/h5-6,8-9H,2-4,7H2,1H3
InChI Key:
ZRMWFOVUZHUEQH-UHFFFAOYSA-N
SMILES:
CCCCCOc1ccc(cc1Cl)C=O
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.076g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.7g/mol
Monoisotopic Mass:
226.076g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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