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150884-56-3 | 2-Oxaziridinecarboxylic acid, 3-(4-cyanophenyl)-, 1,1-dimethylethyl ester, (2R,3S)-rel- (9CI)
CAS No: 150884-56-3 Catalog No: AG001MWS MDL No:
Product Description
Catalog Number:
AG001MWS
Chemical Name:
2-Oxaziridinecarboxylic acid, 3-(4-cyanophenyl)-, 1,1-dimethylethyl ester, (2R,3S)-rel- (9CI)
CAS Number:
150884-56-3
Molecular Formula:
C13H14N2O3
Molecular Weight:
246.2619
IUPAC Name:
tert-butyl 3-(4-cyanophenyl)oxaziridine-2-carboxylate
InChI:
InChI=1S/C13H14N2O3/c1-13(2,3)17-12(16)15-11(18-15)10-6-4-9(8-14)5-7-10/h4-7,11H,1-3H3
InChI Key:
ACXPNVRTMHEHMQ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)[C@@H]1ON1C(=O)OC(C)(C)C
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.266g/mol
Monoisotopic Mass:
246.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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