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1269119-14-3 | 5-Pyrimidinecarbonyl chloride, 4,6-dichloro-2-(methylthio)-
CAS No: 1269119-14-3 Catalog No: AG000TGF MDL No:MFCD22200536
Product Description
Catalog Number:
AG000TGF
Chemical Name:
5-Pyrimidinecarbonyl chloride, 4,6-dichloro-2-(methylthio)-
CAS Number:
1269119-14-3
Molecular Formula:
C6H3Cl3N2OS
Molecular Weight:
257.5248
MDL Number:
MFCD22200536
IUPAC Name:
4,6-dichloro-2-methylsulfanylpyrimidine-5-carbonyl chloride
InChI:
InChI=1S/C6H3Cl3N2OS/c1-13-6-10-3(7)2(5(9)12)4(8)11-6/h1H3
InChI Key:
MHZGWIOWCZZQNF-UHFFFAOYSA-N
SMILES:
CSc1nc(Cl)c(c(n1)Cl)C(=O)Cl
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.903g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.513g/mol
Monoisotopic Mass:
255.903g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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