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Home > Nitro Compounds > 916137-34-3
916137-34-3 | 4(3H)-Quinazolinone, 2-(methylthio)-7-nitro-3-(phenylmethyl)-
CAS No: 916137-34-3 Catalog No: AG006FS9 MDL No:
Product Description
Catalog Number:
AG006FS9
Chemical Name:
4(3H)-Quinazolinone, 2-(methylthio)-7-nitro-3-(phenylmethyl)-
CAS Number:
916137-34-3
Molecular Formula:
C16H13N3O3S
Molecular Weight:
327.3577
IUPAC Name:
3-benzyl-2-methylsulfanyl-7-nitroquinazolin-4-one
InChI:
InChI=1S/C16H13N3O3S/c1-23-16-17-14-9-12(19(21)22)7-8-13(14)15(20)18(16)10-11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChI Key:
VIOOTIAJYGNKRC-UHFFFAOYSA-N
SMILES:
CSc1nc2cc(ccc2c(=O)n1Cc1ccccc1)[N+](=O)[O-]
Properties
Complexity:
499
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.068g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.358g/mol
Monoisotopic Mass:
327.068g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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