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Home > Nitro Compounds > 132395-39-2
132395-39-2 | Azetidine, 3-nitro-
CAS No: 132395-39-2 Catalog No: AG0010NC MDL No:
Product Description
Catalog Number:
AG0010NC
Chemical Name:
Azetidine, 3-nitro-
CAS Number:
132395-39-2
Molecular Formula:
C3H6N2O2
Molecular Weight:
102.0919
IUPAC Name:
3-nitroazetidine
InChI:
InChI=1S/C3H6N2O2/c6-5(7)3-1-4-2-3/h3-4H,1-2H2
InChI Key:
HUDBUXGVPZKSKH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C1CNC1
Properties
Complexity:
83.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
102.043g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
102.093g/mol
Monoisotopic Mass:
102.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
Literature
| Title | Journal |
|---|---|
| Chiral proton catalysis of secondary nitroalkane additions to azomethine: synthesis of a potent GlyT1 inhibitor. | Chemical communications (Cambridge, England) 20120607 |
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