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116753-51-6 | 1-Propanamine, 3-(3-nitrophenoxy)-
CAS No: 116753-51-6 Catalog No: AG000D6U MDL No:MFCD12818946
Product Description
Catalog Number:
AG000D6U
Chemical Name:
1-Propanamine, 3-(3-nitrophenoxy)-
CAS Number:
116753-51-6
Molecular Formula:
C9H12N2O3
Molecular Weight:
196.2032
MDL Number:
MFCD12818946
IUPAC Name:
3-(3-nitrophenoxy)propan-1-amine
InChI:
InChI=1S/C9H12N2O3/c10-5-2-6-14-9-4-1-3-8(7-9)11(12)13/h1,3-4,7H,2,5-6,10H2
InChI Key:
QMRSDYBQUDEVCQ-UHFFFAOYSA-N
SMILES:
NCCCOc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
181
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:
1.6
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