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Home > Nitro Compounds > 926218-64-6
926218-64-6 | 3-methyl-7-nitro-2-sulfanyl-3,4-dihydroquinazolin-4-one
CAS No: 926218-64-6 Catalog No: AG01ABVV MDL No:MFCD09041797
Product Description
Catalog Number:
AG01ABVV
Chemical Name:
3-methyl-7-nitro-2-sulfanyl-3,4-dihydroquinazolin-4-one
CAS Number:
926218-64-6
Molecular Formula:
C9H7N3O3S
Molecular Weight:
237.2352
MDL Number:
MFCD09041797
IUPAC Name:
3-methyl-7-nitro-2-sulfanylidene-1H-quinazolin-4-one
InChI:
InChI=1S/C9H7N3O3S/c1-11-8(13)6-3-2-5(12(14)15)4-7(6)10-9(11)16/h2-4H,1H3,(H,10,16)
InChI Key:
WVDQKGQKETYBJM-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)nc(n(c2=O)C)S
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.021g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.233g/mol
Monoisotopic Mass:
237.021g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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