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Home > Nitro Compounds > 87190-54-3
87190-54-3 | Isoxazolidine, 2-(1,1-dimethylethyl)-5-nitro-3-phenyl-
CAS No: 87190-54-3 Catalog No: AG004NKU MDL No:
Product Description
Catalog Number:
AG004NKU
Chemical Name:
Isoxazolidine, 2-(1,1-dimethylethyl)-5-nitro-3-phenyl-
CAS Number:
87190-54-3
Molecular Formula:
C13H18N2O3
Molecular Weight:
250.2936
IUPAC Name:
2-tert-butyl-5-nitro-3-phenyl-1,2-oxazolidine
InChI:
InChI=1S/C13H18N2O3/c1-13(2,3)14-11(9-12(18-14)15(16)17)10-7-5-4-6-8-10/h4-8,11-12H,9H2,1-3H3
InChI Key:
ZFDXVDSFRQQBOW-UHFFFAOYSA-N
SMILES:
CC(N1OC(CC1c1ccccc1)[N+](=O)[O-])(C)C
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.132g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.298g/mol
Monoisotopic Mass:
250.132g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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