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87026-45-7

87026-45-7 | 4-Chloro-5-methoxy-2-(methylthio);pyrimidine

CAS No: 87026-45-7 Catalog No: AG004NQP MDL No:MFCD00223689

Product Description

Catalog Number:
AG004NQP
Chemical Name:
4-Chloro-5-methoxy-2-(methylthio);pyrimidine
CAS Number:
87026-45-7
Molecular Formula:
C6H7ClN2OS
Molecular Weight:
190.6506
MDL Number:
MFCD00223689
IUPAC Name:
4-chloro-5-methoxy-2-methylsulfanylpyrimidine
InChI:
InChI=1S/C6H7ClN2OS/c1-10-4-3-8-6(11-2)9-5(4)7/h3H,1-2H3
InChI Key:
SWERHXRSRVRUFG-UHFFFAOYSA-N
SMILES:
COc1cnc(nc1Cl)SC
NSC Number:
53416

Properties

Complexity:
127  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.997g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.645g/mol
Monoisotopic Mass:
189.997g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

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