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Home > Nitro Compounds > 174565-63-0
174565-63-0 | 2,4(1H,3H)-Quinazolinedione, 7-nitro-
CAS No: 174565-63-0 Catalog No: AG001ZS4 MDL No:MFCD02091151
Product Description
Catalog Number:
AG001ZS4
Chemical Name:
2,4(1H,3H)-Quinazolinedione, 7-nitro-
CAS Number:
174565-63-0
Molecular Formula:
C8H5N3O4
Molecular Weight:
207.1430
MDL Number:
MFCD02091151
IUPAC Name:
7-nitro-1H-quinazoline-2,4-dione
InChI:
InChI=1S/C8H5N3O4/c12-7-5-2-1-4(11(14)15)3-6(5)9-8(13)10-7/h1-3H,(H2,9,10,12,13)
InChI Key:
FDAQHIHYBBEDQQ-UHFFFAOYSA-N
SMILES:
O=c1[nH]c2cc(ccc2c(=O)[nH]1)[N+](=O)[O-]
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.028g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
207.145g/mol
Monoisotopic Mass:
207.028g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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