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1780-39-8 | Pyrimidine, 2,4,6-trichloro-5-phenyl-
CAS No: 1780-39-8 Catalog No: AG0025PP MDL No:
Product Description
Catalog Number:
AG0025PP
Chemical Name:
Pyrimidine, 2,4,6-trichloro-5-phenyl-
CAS Number:
1780-39-8
Molecular Formula:
C10H5Cl3N2
Molecular Weight:
259.5191
IUPAC Name:
2,4,6-trichloro-5-phenylpyrimidine
InChI:
InChI=1S/C10H5Cl3N2/c11-8-7(6-4-2-1-3-5-6)9(12)15-10(13)14-8/h1-5H
InChI Key:
YMCHZJBZJNKSHU-UHFFFAOYSA-N
SMILES:
Clc1nc(Cl)c(c(n1)Cl)c1ccccc1
NSC Number:
66915
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.952g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.514g/mol
Monoisotopic Mass:
257.952g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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