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Home > Nitro Compounds > 192513-24-9
192513-24-9 | 4(1H)-Quinazolinone, 2,3-dihydro-3-hydroxy-2-(5-nitro-2-thienyl)-
CAS No: 192513-24-9 Catalog No: AG002G1C MDL No:
Product Description
Catalog Number:
AG002G1C
Chemical Name:
4(1H)-Quinazolinone, 2,3-dihydro-3-hydroxy-2-(5-nitro-2-thienyl)-
CAS Number:
192513-24-9
Molecular Formula:
C12H9N3O4S
Molecular Weight:
291.2826
IUPAC Name:
3-hydroxy-2-(5-nitrothiophen-2-yl)-1,2-dihydroquinazolin-4-one
InChI:
InChI=1S/C12H9N3O4S/c16-12-7-3-1-2-4-8(7)13-11(14(12)17)9-5-6-10(20-9)15(18)19/h1-6,11,13,17H
InChI Key:
ALTXHXXYANUBAQ-UHFFFAOYSA-N
SMILES:
ON1C(Nc2c(C1=O)cccc2)c1ccc(s1)[N+](=O)[O-]
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.031g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
291.281g/mol
Monoisotopic Mass:
291.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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