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113494-35-2 | 2,4-Pyrimidinediamine, 6-ethyl-5-(4-fluoro-3-nitrophenyl)-
CAS No: 113494-35-2 Catalog No: AG0008RU MDL No:
Product Description
Catalog Number:
AG0008RU
Chemical Name:
2,4-Pyrimidinediamine, 6-ethyl-5-(4-fluoro-3-nitrophenyl)-
CAS Number:
113494-35-2
Molecular Formula:
C12H12FN5O2
Molecular Weight:
277.2544
IUPAC Name:
6-ethyl-5-(4-fluoro-3-nitrophenyl)pyrimidine-2,4-diamine
InChI:
InChI=1S/C12H12FN5O2/c1-2-8-10(11(14)17-12(15)16-8)6-3-4-7(13)9(5-6)18(19)20/h3-5H,2H2,1H3,(H4,14,15,16,17)
InChI Key:
WZOOFTLTBYMEDU-UHFFFAOYSA-N
SMILES:
CCc1nc(N)nc(c1c1ccc(c(c1)[N+](=O)[O-])F)N
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.098g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
277.259g/mol
Monoisotopic Mass:
277.098g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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