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63810-78-6 | 5-Bromo-4-chloro-2-(methylthio)pyrimidine
CAS No: 63810-78-6 Catalog No: AG003483 MDL No:MFCD00023232
Product Description
Catalog Number:
AG003483
Chemical Name:
5-Bromo-4-chloro-2-(methylthio)pyrimidine
CAS Number:
63810-78-6
Molecular Formula:
C5H4BrClN2S
Molecular Weight:
239.5207
MDL Number:
MFCD00023232
IUPAC Name:
5-bromo-4-chloro-2-methylsulfanylpyrimidine
InChI:
InChI=1S/C5H4BrClN2S/c1-10-5-8-2-3(6)4(7)9-5/h2H,1H3
InChI Key:
XVRYJQACDDVZEI-UHFFFAOYSA-N
SMILES:
CSc1ncc(c(n1)Cl)Br
NSC Number:
102496
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.897g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.515g/mol
Monoisotopic Mass:
237.897g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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