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Home > Nitro Compounds > 158670-15-6
158670-15-6 | Aziridine, 1-(1-methylethyl)-2,2-dinitro-
CAS No: 158670-15-6 Catalog No: AG001QQN MDL No:
Product Description
Catalog Number:
AG001QQN
Chemical Name:
Aziridine, 1-(1-methylethyl)-2,2-dinitro-
CAS Number:
158670-15-6
Molecular Formula:
C5H9N3O4
Molecular Weight:
175.1427
IUPAC Name:
2,2-dinitro-1-propan-2-ylaziridine
InChI:
InChI=1S/C5H9N3O4/c1-4(2)6-3-5(6,7(9)10)8(11)12/h4H,3H2,1-2H3
InChI Key:
BKWSEYXAOIMYSI-UHFFFAOYSA-N
SMILES:
CC(N1CC1([N+](=O)[O-])[N+](=O)[O-])C
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.059g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.144g/mol
Monoisotopic Mass:
175.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
94.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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