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Home > Aldehydes > 918882-58-3
918882-58-3 | Benzaldehyde, 2-chloro-6-[(2-hydroxyethyl)thio]-
CAS No: 918882-58-3 Catalog No: AG006MH7 MDL No:
Product Description
Catalog Number:
AG006MH7
Chemical Name:
Benzaldehyde, 2-chloro-6-[(2-hydroxyethyl)thio]-
CAS Number:
918882-58-3
Molecular Formula:
C9H9ClO2S
Molecular Weight:
216.6846
IUPAC Name:
2-chloro-6-(2-hydroxyethylsulfanyl)benzaldehyde
InChI:
InChI=1S/C9H9ClO2S/c10-8-2-1-3-9(7(8)6-12)13-5-4-11/h1-3,6,11H,4-5H2
InChI Key:
RYFRVSHNQDXRNN-UHFFFAOYSA-N
SMILES:
OCCSc1cccc(c1C=O)Cl
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.001g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.679g/mol
Monoisotopic Mass:
216.001g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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