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Home > Aldehydes > 183017-88-1
183017-88-1 | Benzaldehyde, 5-(chloromethyl)-3-(1,1-dimethylethyl)-2-hydroxy-
CAS No: 183017-88-1 Catalog No: AG0024CM MDL No:
Product Description
Catalog Number:
AG0024CM
Chemical Name:
Benzaldehyde, 5-(chloromethyl)-3-(1,1-dimethylethyl)-2-hydroxy-
CAS Number:
183017-88-1
Molecular Formula:
C12H15ClO2
Molecular Weight:
226.6993
IUPAC Name:
3-tert-butyl-5-(chloromethyl)-2-hydroxybenzaldehyde
InChI:
InChI=1S/C12H15ClO2/c1-12(2,3)10-5-8(6-13)4-9(7-14)11(10)15/h4-5,7,15H,6H2,1-3H3
InChI Key:
XCBPLYMYMBRWTA-UHFFFAOYSA-N
SMILES:
ClCc1cc(C=O)c(c(c1)C(C)(C)C)O
Properties
Complexity:
222
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:
1
Isotope Atom Count:
0
Molecular Weight:
226.7g/mol
Monoisotopic Mass:
226.076g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Literature
| Title | Journal |
|---|---|
| Enantioselective epoxidation of non-functionalized alkenes using carbohydrate based salen-Mn(III) complexes. | Carbohydrate research 20070205 |
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