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Home > Aldehydes > 921937-93-1
921937-93-1 | Benzaldehyde, 4-[[(2S,3S)-2-chloro-3-methylpentyl]oxy]-
CAS No: 921937-93-1 Catalog No: AG006FT8 MDL No:
Product Description
Catalog Number:
AG006FT8
Chemical Name:
Benzaldehyde, 4-[[(2S,3S)-2-chloro-3-methylpentyl]oxy]-
CAS Number:
921937-93-1
Molecular Formula:
C13H17ClO2
Molecular Weight:
240.7259
IUPAC Name:
4-[(2S,3S)-2-chloro-3-methylpentoxy]benzaldehyde
InChI:
InChI=1S/C13H17ClO2/c1-3-10(2)13(14)9-16-12-6-4-11(8-15)5-7-12/h4-8,10,13H,3,9H2,1-2H3/t10-,13+/m0/s1
InChI Key:
RYEGZGANDPAHEK-GXFFZTMASA-N
SMILES:
CC[C@@H]([C@@H](COc1ccc(cc1)C=O)Cl)C
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
240.092g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.727g/mol
Monoisotopic Mass:
240.092g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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