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1780-35-4 | Pyrimidine, 5-(bromomethyl)-4,6-dichloro-2-(chloromethyl)-
CAS No: 1780-35-4 Catalog No: AG0025PT MDL No:
Product Description
Catalog Number:
AG0025PT
Chemical Name:
Pyrimidine, 5-(bromomethyl)-4,6-dichloro-2-(chloromethyl)-
CAS Number:
1780-35-4
Molecular Formula:
C6H4BrCl3N2
Molecular Weight:
290.3724
IUPAC Name:
5-(bromomethyl)-4,6-dichloro-2-(chloromethyl)pyrimidine
InChI:
InChI=1S/C6H4BrCl3N2/c7-1-3-5(9)11-4(2-8)12-6(3)10/h1-2H2
InChI Key:
GMLRWNMXARYBIJ-UHFFFAOYSA-N
SMILES:
ClCc1nc(Cl)c(c(n1)Cl)CBr
NSC Number:
58554
Properties
Complexity:
137
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.862g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.366g/mol
Monoisotopic Mass:
287.862g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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