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91284-15-0 | 5-(4-chlorophenyl)-6-ethyl-3-hydroxy-2-imino-pyrimidin-4-amine
CAS No: 91284-15-0 Catalog No: AG0036SJ MDL No:
Product Description
Catalog Number:
AG0036SJ
Chemical Name:
5-(4-chlorophenyl)-6-ethyl-3-hydroxy-2-imino-pyrimidin-4-amine
CAS Number:
91284-15-0
Molecular Formula:
C12H13ClN4O
Molecular Weight:
264.7108
IUPAC Name:
5-(4-chlorophenyl)-6-ethyl-3-hydroxy-2-iminopyrimidin-4-amine
InChI:
InChI=1S/C12H13ClN4O/c1-2-9-10(7-3-5-8(13)6-4-7)11(14)17(18)12(15)16-9/h3-6,15,18H,2,14H2,1H3
InChI Key:
LXERYRMYNXJFNA-UHFFFAOYSA-N
SMILES:
CCc1nc(N)[n+](c(c1c1ccc(cc1)Cl)N)[O-]
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.078g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
264.713g/mol
Monoisotopic Mass:
264.078g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
85.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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