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127726-62-9 | Pyrimidine, 4,6-dichloro-2-(methylsulfonyl)-5-nitro-
CAS No: 127726-62-9 Catalog No: AG000XCZ MDL No:MFCD22576381
Product Description
Catalog Number:
AG000XCZ
Chemical Name:
Pyrimidine, 4,6-dichloro-2-(methylsulfonyl)-5-nitro-
CAS Number:
127726-62-9
Molecular Formula:
C5H3Cl2N3O4S
Molecular Weight:
272.0660
MDL Number:
MFCD22576381
IUPAC Name:
4,6-dichloro-2-methylsulfonyl-5-nitropyrimidine
InChI:
InChI=1S/C5H3Cl2N3O4S/c1-15(13,14)5-8-3(6)2(10(11)12)4(7)9-5/h1H3
InChI Key:
JTCQXDMVZPLEIL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(Cl)nc(nc1Cl)S(=O)(=O)C
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.922g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.056g/mol
Monoisotopic Mass:
270.922g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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