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1421691-20-4 | Pyrimidine, 4-chloro-2-(methylthio)-5-nitro-
CAS No: 1421691-20-4 Catalog No: AG001HVY MDL No:MFCD28101776
Product Description
Catalog Number:
AG001HVY
Chemical Name:
Pyrimidine, 4-chloro-2-(methylthio)-5-nitro-
CAS Number:
1421691-20-4
Molecular Formula:
C5H4ClN3O2S
Molecular Weight:
205.6222
MDL Number:
MFCD28101776
IUPAC Name:
4-chloro-2-methylsulfanyl-5-nitropyrimidine
InChI:
InChI=1S/C5H4ClN3O2S/c1-12-5-7-2-3(9(10)11)4(6)8-5/h2H,1H3
InChI Key:
HXEWSUSUUWMNRB-UHFFFAOYSA-N
SMILES:
CSc1ncc(c(n1)Cl)[N+](=O)[O-]
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.971g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.616g/mol
Monoisotopic Mass:
204.971g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
96.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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