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Home > Nitro Compounds > 916137-33-2
916137-33-2 | 4(3H)-Quinazolinone, 2-(methylthio)-7-nitro-3-phenyl-
CAS No: 916137-33-2 Catalog No: AG006FSA MDL No:
Product Description
Catalog Number:
AG006FSA
Chemical Name:
4(3H)-Quinazolinone, 2-(methylthio)-7-nitro-3-phenyl-
CAS Number:
916137-33-2
Molecular Formula:
C15H11N3O3S
Molecular Weight:
313.3311
IUPAC Name:
2-methylsulfanyl-7-nitro-3-phenylquinazolin-4-one
InChI:
InChI=1S/C15H11N3O3S/c1-22-15-16-13-9-11(18(20)21)7-8-12(13)14(19)17(15)10-5-3-2-4-6-10/h2-9H,1H3
InChI Key:
TVIVZSIPRBTUKL-UHFFFAOYSA-N
SMILES:
CSc1nc2cc(ccc2c(=O)n1c1ccccc1)[N+](=O)[O-]
Properties
Complexity:
485
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.052g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.331g/mol
Monoisotopic Mass:
313.052g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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