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863990-46-9 | 4-[4-(Methylsulfonyl)phenyl]-2-thiophenecarbaldehyde
CAS No: 863990-46-9 Catalog No: AG01EXWL MDL No:
Product Description
Catalog Number:
AG01EXWL
Chemical Name:
4-[4-(Methylsulfonyl)phenyl]-2-thiophenecarbaldehyde
CAS Number:
863990-46-9
Molecular Formula:
C12H10O3S2
Molecular Weight:
266.3360
IUPAC Name:
4-(4-methylsulfonylphenyl)thiophene-2-carbaldehyde
InChI:
InChI=1S/C12H10O3S2/c1-17(14,15)12-4-2-9(3-5-12)10-6-11(7-13)16-8-10/h2-8H,1H3
InChI Key:
ZNGVWYMRFYCFDX-UHFFFAOYSA-N
SMILES:
O=Cc1scc(c1)c1ccc(cc1)S(=O)(=O)C
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.007g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.329g/mol
Monoisotopic Mass:
266.007g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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