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141602-29-1 | Pyrimidine, 4-chloro-6-ethyl-5-iodo-
CAS No: 141602-29-1 Catalog No: AG001GO4 MDL No:
Product Description
Catalog Number:
AG001GO4
Chemical Name:
Pyrimidine, 4-chloro-6-ethyl-5-iodo-
CAS Number:
141602-29-1
Molecular Formula:
C6H6ClIN2
Molecular Weight:
268.4827
IUPAC Name:
4-chloro-6-ethyl-5-iodopyrimidine
InChI:
InChI=1S/C6H6ClIN2/c1-2-4-5(8)6(7)10-3-9-4/h3H,2H2,1H3
InChI Key:
KFFALMIPOSPDGL-UHFFFAOYSA-N
SMILES:
CCc1ncnc(c1I)Cl
Properties
Complexity:
112
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.926g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.482g/mol
Monoisotopic Mass:
267.926g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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