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72044-87-2 | 4-(2-ethynyl-5-nitrofuran-3-yl)-6-methylpyrimidin-2-amine
CAS No: 72044-87-2 Catalog No: AG005DHA MDL No:
Product Description
Catalog Number:
AG005DHA
Chemical Name:
4-(2-ethynyl-5-nitrofuran-3-yl)-6-methylpyrimidin-2-amine
CAS Number:
72044-87-2
Molecular Formula:
C11H8N4O3
Molecular Weight:
244.2062
IUPAC Name:
4-(2-ethynyl-5-nitrofuran-3-yl)-6-methylpyrimidin-2-amine
InChI:
InChI=1S/C11H8N4O3/c1-3-9-7(5-10(18-9)15(16)17)8-4-6(2)13-11(12)14-8/h1,4-5H,2H3,(H2,12,13,14)
InChI Key:
VFCSIBYEIWCHSK-UHFFFAOYSA-N
SMILES:
C#Cc1oc(cc1c1cc(C)nc(n1)N)[N+](=O)[O-]
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.06g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.21g/mol
Monoisotopic Mass:
244.06g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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