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Home > Aldehydes > 221018-02-6
221018-02-6 | [1,1'-Biphenyl]-4-carboxaldehyde,4'-(methylthio)-
CAS No: 221018-02-6 Catalog No: AG00709B MDL No:MFCD04117401
Product Description
Catalog Number:
AG00709B
Chemical Name:
[1,1'-Biphenyl]-4-carboxaldehyde,4'-(methylthio)-
CAS Number:
221018-02-6
Molecular Formula:
C14H12OS
Molecular Weight:
228.3095
MDL Number:
MFCD04117401
IUPAC Name:
4-(4-methylsulfanylphenyl)benzaldehyde
InChI:
InChI=1S/C14H12OS/c1-16-14-8-6-13(7-9-14)12-4-2-11(10-15)3-5-12/h2-10H,1H3
InChI Key:
AIQQOUGEPPIVBV-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1)c1ccc(cc1)C=O
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.061g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.309g/mol
Monoisotopic Mass:
228.061g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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