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100841-04-1 | 1-Propanamine, 3-(4-nitrophenoxy)-
CAS No: 100841-04-1 Catalog No: AG0002ZZ MDL No:MFCD09923512
Product Description
Catalog Number:
AG0002ZZ
Chemical Name:
1-Propanamine, 3-(4-nitrophenoxy)-
CAS Number:
100841-04-1
Molecular Formula:
C9H12N2O3
Molecular Weight:
196.2032
MDL Number:
MFCD09923512
IUPAC Name:
3-(4-nitrophenoxy)propan-1-amine
InChI:
InChI=1S/C9H12N2O3/c10-6-1-7-14-9-4-2-8(3-5-9)11(12)13/h2-5H,1,6-7,10H2
InChI Key:
OQDSYPZEHFBRIK-UHFFFAOYSA-N
SMILES:
NCCCOc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.085g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.206g/mol
Monoisotopic Mass:
196.085g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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