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Home > Nitro Compounds > 1012057-47-4
1012057-47-4 | 4(3H)-Quinazolinone, 7-methoxy-6-nitro-
CAS No: 1012057-47-4 Catalog No: AG0003Y5 MDL No:
Product Description
Catalog Number:
AG0003Y5
Chemical Name:
4(3H)-Quinazolinone, 7-methoxy-6-nitro-
CAS Number:
1012057-47-4
Molecular Formula:
C9H7N3O4
Molecular Weight:
221.1696
IUPAC Name:
7-methoxy-6-nitro-3H-quinazolin-4-one
InChI:
InChI=1S/C9H7N3O4/c1-16-8-3-6-5(2-7(8)12(14)15)9(13)11-4-10-6/h2-4H,1H3,(H,10,11,13)
InChI Key:
AJRGEVFKZSWGFX-UHFFFAOYSA-N
SMILES:
COc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-]
Properties
Complexity:
338
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:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.172g/mol
Monoisotopic Mass:
221.044g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
96.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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