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1341171-36-5 | N-(3-Nitrobenzyl)oxetan-3-ylamine
CAS No: 1341171-36-5 Catalog No: AG01FEDU MDL No:
Product Description
Catalog Number:
AG01FEDU
Chemical Name:
N-(3-Nitrobenzyl)oxetan-3-ylamine
CAS Number:
1341171-36-5
Molecular Formula:
C10H12N2O3
Molecular Weight:
208.2139
IUPAC Name:
N-[(3-nitrophenyl)methyl]oxetan-3-amine
InChI:
InChI=1S/C10H12N2O3/c13-12(14)10-3-1-2-8(4-10)5-11-9-6-15-7-9/h1-4,9,11H,5-7H2
InChI Key:
OUVXUNHUNFPPQR-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)CNC1COC1
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.085g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.217g/mol
Monoisotopic Mass:
208.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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