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167029-47-2 | 2-Aziridinemethanol, 1-[(4-methylphenyl)sulfonyl]-3-phenyl-, (2R,3R)-
CAS No: 167029-47-2 Catalog No: AG001X2Y MDL No:
Product Description
Catalog Number:
AG001X2Y
Chemical Name:
2-Aziridinemethanol, 1-[(4-methylphenyl)sulfonyl]-3-phenyl-, (2R,3R)-
CAS Number:
167029-47-2
Molecular Formula:
C16H17NO3S
Molecular Weight:
303.3761
IUPAC Name:
[(2R,3R)-1-(4-methylphenyl)sulfonyl-3-phenylaziridin-2-yl]methanol
InChI:
InChI=1S/C16H17NO3S/c1-12-7-9-14(10-8-12)21(19,20)17-15(11-18)16(17)13-5-3-2-4-6-13/h2-10,15-16,18H,11H2,1H3/t15-,16+,17?/m0/s1
InChI Key:
XDRLCBVFGRIVHH-RTKIROINSA-N
SMILES:
OC[C@H]1[C@H](N1S(=O)(=O)c1ccc(cc1)C)c1ccccc1
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
303.093g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
303.376g/mol
Monoisotopic Mass:
303.093g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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