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145783-14-8 | Pyrimidine, 4,6-dichloro-5-nitro-2-(propylthio)-
CAS No: 145783-14-8 Catalog No: AG001DEE MDL No:MFCD10698669
Product Description
Catalog Number:
AG001DEE
Chemical Name:
Pyrimidine, 4,6-dichloro-5-nitro-2-(propylthio)-
CAS Number:
145783-14-8
Molecular Formula:
C7H7Cl2N3O2S
Molecular Weight:
268.1204
MDL Number:
MFCD10698669
IUPAC Name:
4,6-dichloro-5-nitro-2-propylsulfanylpyrimidine
InChI:
InChI=1S/C7H7Cl2N3O2S/c1-2-3-15-7-10-5(8)4(12(13)14)6(9)11-7/h2-3H2,1H3
InChI Key:
DDEDQHVHVPJFAC-UHFFFAOYSA-N
SMILES:
CCCSc1nc(Cl)c(c(n1)Cl)[N+](=O)[O-]
EC Number:
700-475-0
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.964g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.112g/mol
Monoisotopic Mass:
266.964g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
96.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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