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88422-43-9 | Quinazoline, 4-(2-fluorophenyl)-2-(4-methyl-1-piperazinyl)-6-nitro-
CAS No: 88422-43-9 Catalog No: AG004KGD MDL No:
Product Description
Catalog Number:
AG004KGD
Chemical Name:
Quinazoline, 4-(2-fluorophenyl)-2-(4-methyl-1-piperazinyl)-6-nitro-
CAS Number:
88422-43-9
Molecular Formula:
C19H18FN5O2
Molecular Weight:
367.3769
IUPAC Name:
4-(2-fluorophenyl)-2-(4-methylpiperazin-1-yl)-6-nitroquinazoline
InChI:
InChI=1S/C19H18FN5O2/c1-23-8-10-24(11-9-23)19-21-17-7-6-13(25(26)27)12-15(17)18(22-19)14-4-2-3-5-16(14)20/h2-7,12H,8-11H2,1H3
InChI Key:
PFEHQJPUEQJJJU-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)c1nc2ccc(cc2c(n1)c1ccccc1F)[N+](=O)[O-]
Properties
Complexity:
525
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.144g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
367.384g/mol
Monoisotopic Mass:
367.144g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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