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113847-72-6 | Aziridine, 2-ethenyl-3-methyl-1-[(4-methylphenyl)sulfonyl]-, cis- (9CI)
CAS No: 113847-72-6 Catalog No: AG0009WK MDL No:
Product Description
Catalog Number:
AG0009WK
Chemical Name:
Aziridine, 2-ethenyl-3-methyl-1-[(4-methylphenyl)sulfonyl]-, cis- (9CI)
CAS Number:
113847-72-6
Molecular Formula:
C12H15NO2S
Molecular Weight:
237.3180
IUPAC Name:
2-ethenyl-3-methyl-1-(4-methylphenyl)sulfonylaziridine
InChI:
InChI=1S/C12H15NO2S/c1-4-12-10(3)13(12)16(14,15)11-7-5-9(2)6-8-11/h4-8,10,12H,1H2,2-3H3
InChI Key:
BPULHWQMMPQJMI-UHFFFAOYSA-N
SMILES:
C=C[C@H]1[C@H](N1S(=O)(=O)c1ccc(cc1)C)C
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.082g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.317g/mol
Monoisotopic Mass:
237.082g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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