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1692-01-9 | 2-Pyrimidinamine, 4-chloro-6-[2-(4-fluorophenyl)ethyl]-
CAS No: 1692-01-9 Catalog No: AG001YKR MDL No:
Product Description
Catalog Number:
AG001YKR
Chemical Name:
2-Pyrimidinamine, 4-chloro-6-[2-(4-fluorophenyl)ethyl]-
CAS Number:
1692-01-9
Molecular Formula:
C12H11ClFN3
Molecular Weight:
251.6872
IUPAC Name:
4-chloro-6-[2-(4-fluorophenyl)ethyl]pyrimidin-2-amine
InChI:
InChI=1S/C12H11ClFN3/c13-11-7-10(16-12(15)17-11)6-3-8-1-4-9(14)5-2-8/h1-2,4-5,7H,3,6H2,(H2,15,16,17)
InChI Key:
PCETZDDUVDSLAT-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)CCc1cc(Cl)nc(n1)N
NSC Number:
60435
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.063g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.689g/mol
Monoisotopic Mass:
251.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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