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105126-88-3 | (4-CHLORO-PHENYLSULFANYL)-ACETALDEHYDE
CAS No: 105126-88-3 Catalog No: AG01BIUQ MDL No:MFCD11585670
Product Description
Catalog Number:
AG01BIUQ
Chemical Name:
(4-CHLORO-PHENYLSULFANYL)-ACETALDEHYDE
CAS Number:
105126-88-3
Molecular Formula:
C8H7ClOS
Molecular Weight:
186.6586
MDL Number:
MFCD11585670
IUPAC Name:
2-(4-chlorophenyl)sulfanylacetaldehyde
InChI:
InChI=1S/C8H7ClOS/c9-7-1-3-8(4-2-7)11-6-5-10/h1-5H,6H2
InChI Key:
SKIIOFFRCPAPAJ-UHFFFAOYSA-N
SMILES:
O=CCSc1ccc(cc1)Cl
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.991g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.653g/mol
Monoisotopic Mass:
185.991g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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