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1199-76-4 | Pyrimidine, 4,5,6-trichloro-2-propyl-
CAS No: 1199-76-4 Catalog No: AG000PUL MDL No:MFCD25956442
Product Description
Catalog Number:
AG000PUL
Chemical Name:
Pyrimidine, 4,5,6-trichloro-2-propyl-
CAS Number:
1199-76-4
Molecular Formula:
C7H7Cl3N2
Molecular Weight:
225.5029
MDL Number:
MFCD25956442
IUPAC Name:
4,5,6-trichloro-2-propylpyrimidine
InChI:
InChI=1S/C7H7Cl3N2/c1-2-3-4-11-6(9)5(8)7(10)12-4/h2-3H2,1H3
InChI Key:
JMVHNAXQPUGXQX-UHFFFAOYSA-N
SMILES:
CCCc1nc(Cl)c(c(n1)Cl)Cl
NSC Number:
66903
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.967g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.497g/mol
Monoisotopic Mass:
223.967g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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