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Home > Nitro Compounds > 804435-90-3
804435-90-3 | Azetidine,3-ethyl-3-(4-nitrophenyl)-
CAS No: 804435-90-3 Catalog No: AG00531O MDL No:
Product Description
Catalog Number:
AG00531O
Chemical Name:
Azetidine,3-ethyl-3-(4-nitrophenyl)-
CAS Number:
804435-90-3
Molecular Formula:
C11H14N2O2
Molecular Weight:
206.2411
IUPAC Name:
3-ethyl-3-(4-nitrophenyl)azetidine
InChI:
InChI=1S/C11H14N2O2/c1-2-11(7-12-8-11)9-3-5-10(6-4-9)13(14)15/h3-6,12H,2,7-8H2,1H3
InChI Key:
SFTRHDSWNUNXFC-UHFFFAOYSA-N
SMILES:
CCC1(CNC1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.106g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.245g/mol
Monoisotopic Mass:
206.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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