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Home > Other Building Blocks > 138529-94-9
138529-94-9 | 2-Butanone, 1-diazo-1-(methylsulfonyl)-4-phenyl-
CAS No: 138529-94-9 Catalog No: AG0019E6 MDL No:
Product Description
Catalog Number:
AG0019E6
Chemical Name:
2-Butanone, 1-diazo-1-(methylsulfonyl)-4-phenyl-
CAS Number:
138529-94-9
Molecular Formula:
C11H12N2O3S
Molecular Weight:
252.2896
IUPAC Name:
1-diazo-1-methylsulfonyl-4-phenylbutan-2-one
InChI:
InChI=1S/C11H12N2O3S/c1-17(15,16)11(13-12)10(14)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChI Key:
WGMMWXBLGUAUGQ-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=C(S(=O)(=O)C)C(=O)CCc1ccccc1
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.057g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.288g/mol
Monoisotopic Mass:
252.057g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.5
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