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Home > Nitro Compounds > 75342-05-1
75342-05-1 | 4(1H)-Quinazolinone, 2-[2-(4-hydroxy-3-nitrophenyl)ethenyl]-
CAS No: 75342-05-1 Catalog No: AG005C75 MDL No:
Product Description
Catalog Number:
AG005C75
Chemical Name:
4(1H)-Quinazolinone, 2-[2-(4-hydroxy-3-nitrophenyl)ethenyl]-
CAS Number:
75342-05-1
Molecular Formula:
C16H11N3O4
Molecular Weight:
309.2762
IUPAC Name:
2-[(E)-2-(4-hydroxy-3-nitrophenyl)ethenyl]-3H-quinazolin-4-one
InChI:
InChI=1S/C16H11N3O4/c20-14-7-5-10(9-13(14)19(22)23)6-8-15-17-12-4-2-1-3-11(12)16(21)18-15/h1-9,20H,(H,17,18,21)/b8-6+
InChI Key:
AFXHRVVWIVWNRH-SOFGYWHQSA-N
SMILES:
[O-][N+](=O)c1cc(C=Cc2nc(=O)c3c([nH]2)cccc3)ccc1O
Properties
Complexity:
540
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
309.075g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
309.281g/mol
Monoisotopic Mass:
309.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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