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Home > Nitro Compounds > 88619-33-4
88619-33-4 | 2,4(1H,3H)-Quinazolinedione, 3-methyl-6-nitro-
CAS No: 88619-33-4 Catalog No: AG004CAX MDL No:
Product Description
Catalog Number:
AG004CAX
Chemical Name:
2,4(1H,3H)-Quinazolinedione, 3-methyl-6-nitro-
CAS Number:
88619-33-4
Molecular Formula:
C9H7N3O4
Molecular Weight:
221.1696
IUPAC Name:
3-methyl-6-nitro-1H-quinazoline-2,4-dione
InChI:
InChI=1S/C9H7N3O4/c1-11-8(13)6-4-5(12(15)16)2-3-7(6)10-9(11)14/h2-4H,1H3,(H,10,14)
InChI Key:
RCCWMPQIHDYYSF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)c(=O)n(c(=O)[nH]2)C
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.044g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.172g/mol
Monoisotopic Mass:
221.044g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
95.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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