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1015236-21-1 | Pteridine, 4-chloro-2-(5-chloro-2-fluorophenyl)-
CAS No: 1015236-21-1 Catalog No: AG0004PI MDL No:
Product Description
Catalog Number:
AG0004PI
Chemical Name:
Pteridine, 4-chloro-2-(5-chloro-2-fluorophenyl)-
CAS Number:
1015236-21-1
Molecular Formula:
C12H5Cl2FN4
Molecular Weight:
295.0993
IUPAC Name:
4-chloro-2-(5-chloro-2-fluorophenyl)pteridine
InChI:
InChI=1S/C12H5Cl2FN4/c13-6-1-2-8(15)7(5-6)11-18-10(14)9-12(19-11)17-4-3-16-9/h1-5H
InChI Key:
PHRTUHVIIGEEGW-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)c1nc(Cl)c2c(n1)nccn2)F
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.988g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.098g/mol
Monoisotopic Mass:
293.988g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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