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Home > Nitro Compounds > 137986-34-6
137986-34-6 | 4(3H)-Quinazolinone, 3-(4-hydroxyphenyl)-2-(4-nitrophenyl)-
CAS No: 137986-34-6 Catalog No: AG0017RV MDL No:
Product Description
Catalog Number:
AG0017RV
Chemical Name:
4(3H)-Quinazolinone, 3-(4-hydroxyphenyl)-2-(4-nitrophenyl)-
CAS Number:
137986-34-6
Molecular Formula:
C20H13N3O4
Molecular Weight:
359.3349
IUPAC Name:
3-(4-hydroxyphenyl)-2-(4-nitrophenyl)quinazolin-4-one
InChI:
InChI=1S/C20H13N3O4/c24-16-11-9-14(10-12-16)22-19(13-5-7-15(8-6-13)23(26)27)21-18-4-2-1-3-17(18)20(22)25/h1-12,24H
InChI Key:
DFWMUTBOWKBDLP-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)n1c(nc2c(c1=O)cccc2)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
601
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.091g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
359.341g/mol
Monoisotopic Mass:
359.091g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
98.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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