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833454-79-8 | Quinoline, 8-[(2R,3R)-2-(1-methylethyl)-3-oxaziridinyl]-
CAS No: 833454-79-8 Catalog No: AG004SRP MDL No:
Product Description
Catalog Number:
AG004SRP
Chemical Name:
Quinoline, 8-[(2R,3R)-2-(1-methylethyl)-3-oxaziridinyl]-
CAS Number:
833454-79-8
Molecular Formula:
C13H14N2O
Molecular Weight:
214.2631
IUPAC Name:
(3R)-2-propan-2-yl-3-quinolin-8-yloxaziridine
InChI:
InChI=1S/C13H14N2O/c1-9(2)15-13(16-15)11-7-3-5-10-6-4-8-14-12(10)11/h3-9,13H,1-2H3/t13-,15?/m1/s1
InChI Key:
SIODFGYEGGBMCQ-AFYYWNPRSA-N
SMILES:
CC(N1O[C@@H]1c1cccc2c1nccc2)C
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
214.111g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.268g/mol
Monoisotopic Mass:
214.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
28.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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