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90825-52-8 | 5-Pyrimidinecarboxaldehyde, 2,4-dichloro-6-(phenylthio)-
CAS No: 90825-52-8 Catalog No: AG006LXT MDL No:
Product Description
Catalog Number:
AG006LXT
Chemical Name:
5-Pyrimidinecarboxaldehyde, 2,4-dichloro-6-(phenylthio)-
CAS Number:
90825-52-8
Molecular Formula:
C11H6Cl2N2OS
Molecular Weight:
285.1491
IUPAC Name:
2,4-dichloro-6-phenylsulfanylpyrimidine-5-carbaldehyde
InChI:
InChI=1S/C11H6Cl2N2OS/c12-9-8(6-16)10(15-11(13)14-9)17-7-4-2-1-3-5-7/h1-6H
InChI Key:
LDBBFPWMUKMBTM-UHFFFAOYSA-N
SMILES:
O=Cc1c(Sc2ccccc2)nc(nc1Cl)Cl
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.958g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.142g/mol
Monoisotopic Mass:
283.958g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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