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138163-30-1 | Pyrido[2,1-a]isoindole-2,6-dione, 3,4-dihydro-1-(methylthio)-8-nitro-
CAS No: 138163-30-1 Catalog No: AG00183C MDL No:
Product Description
Catalog Number:
AG00183C
Chemical Name:
Pyrido[2,1-a]isoindole-2,6-dione, 3,4-dihydro-1-(methylthio)-8-nitro-
CAS Number:
138163-30-1
Molecular Formula:
C13H10N2O4S
Molecular Weight:
290.2945
IUPAC Name:
1-methylsulfanyl-8-nitro-3,4-dihydropyrido[1,2-b]isoindole-2,6-dione
InChI:
InChI=1S/C13H10N2O4S/c1-20-12-10(16)4-5-14-11(12)8-3-2-7(15(18)19)6-9(8)13(14)17/h2-3,6H,4-5H2,1H3
InChI Key:
OHDZJDXRRLOZEV-UHFFFAOYSA-N
SMILES:
CSC1=C2N(CCC1=O)C(=O)c1c2ccc(c1)[N+](=O)[O-]
Properties
Complexity:
525
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.036g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.293g/mol
Monoisotopic Mass:
290.036g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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