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115617-41-9 | Pyrimidine, 4,5-dichloro-6-ethyl-
CAS No: 115617-41-9 Catalog No: AG000G9B MDL No:MFCD11111140
Product Description
Catalog Number:
AG000G9B
Chemical Name:
Pyrimidine, 4,5-dichloro-6-ethyl-
CAS Number:
115617-41-9
Molecular Formula:
C6H6Cl2N2
Molecular Weight:
177.0312
MDL Number:
MFCD11111140
IUPAC Name:
4,5-dichloro-6-ethylpyrimidine
InChI:
InChI=1S/C6H6Cl2N2/c1-2-4-5(7)6(8)10-3-9-4/h3H,2H2,1H3
InChI Key:
RPVZESOQOOPTGU-UHFFFAOYSA-N
SMILES:
CCc1ncnc(c1Cl)Cl
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.991g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.028g/mol
Monoisotopic Mass:
175.991g/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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