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1247648-32-3 | 2-[(2-CHLOROPHENYL)SULFANYL]ACETALDEHYDE
CAS No: 1247648-32-3 Catalog No: AG01BIUN MDL No:MFCD16096697
Product Description
Catalog Number:
AG01BIUN
Chemical Name:
2-[(2-CHLOROPHENYL)SULFANYL]ACETALDEHYDE
CAS Number:
1247648-32-3
Molecular Formula:
C8H7ClOS
Molecular Weight:
186.6586
MDL Number:
MFCD16096697
IUPAC Name:
2-(2-chlorophenyl)sulfanylacetaldehyde
InChI:
InChI=1S/C8H7ClOS/c9-7-3-1-2-4-8(7)11-6-5-10/h1-5H,6H2
InChI Key:
NOKDCWGJBXHAAO-UHFFFAOYSA-N
SMILES:
O=CCSc1ccccc1Cl
Properties
Complexity:
129
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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