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90499-85-7 | 2-Propanone, 1-diazo-3-(8-quinolinylthio)-
CAS No: 90499-85-7 Catalog No: AG006CZM MDL No:
Product Description
Catalog Number:
AG006CZM
Chemical Name:
2-Propanone, 1-diazo-3-(8-quinolinylthio)-
CAS Number:
90499-85-7
Molecular Formula:
C12H9N3OS
Molecular Weight:
243.2844
IUPAC Name:
1-diazo-3-quinolin-8-ylsulfanylpropan-2-one
InChI:
InChI=1S/C12H9N3OS/c13-15-7-10(16)8-17-11-5-1-3-9-4-2-6-14-12(9)11/h1-7H,8H2
InChI Key:
MEYHUEBFCVEJKP-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=CC(=O)CSc1cccc2c1nccc2
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.047g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.284g/mol
Monoisotopic Mass:
243.047g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.5
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