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Home > Aldehydes > 107572-07-6
107572-07-6 | 2-((4-Chlorophenyl)thio)benzaldehyde
CAS No: 107572-07-6 Catalog No: AG003EVW MDL No:MFCD00051766
Product Description
Catalog Number:
AG003EVW
Chemical Name:
2-((4-Chlorophenyl)thio)benzaldehyde
CAS Number:
107572-07-6
Molecular Formula:
C13H9ClOS
Molecular Weight:
248.7280
MDL Number:
MFCD00051766
IUPAC Name:
2-(4-chlorophenyl)sulfanylbenzaldehyde
InChI:
InChI=1S/C13H9ClOS/c14-11-5-7-12(8-6-11)16-13-4-2-1-3-10(13)9-15/h1-9H
InChI Key:
CQKLAEUCMKGSEQ-UHFFFAOYSA-N
SMILES:
O=Cc1ccccc1Sc1ccc(cc1)Cl
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.006g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.724g/mol
Monoisotopic Mass:
248.006g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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