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1780-27-4 | Pyrimidine, 4,5,6-trichloro-
CAS No: 1780-27-4 Catalog No: AG0025PZ MDL No:MFCD08458457
Product Description
Catalog Number:
AG0025PZ
Chemical Name:
Pyrimidine, 4,5,6-trichloro-
CAS Number:
1780-27-4
Molecular Formula:
C4HCl3N2
Molecular Weight:
183.4231
MDL Number:
MFCD08458457
IUPAC Name:
4,5,6-trichloropyrimidine
InChI:
InChI=1S/C4HCl3N2/c5-2-3(6)8-1-9-4(2)7/h1H
InChI Key:
AUWPHGWEYHEAIG-UHFFFAOYSA-N
SMILES:
Clc1c(Cl)ncnc1Cl
NSC Number:
66902
Properties
Complexity:
89.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.921g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.416g/mol
Monoisotopic Mass:
181.921g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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