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116735-67-2 | 1-Propanamine, 3-(2-fluorophenoxy)-
CAS No: 116735-67-2 Catalog No: AG000D68 MDL No:MFCD06800759
Product Description
Catalog Number:
AG000D68
Chemical Name:
1-Propanamine, 3-(2-fluorophenoxy)-
CAS Number:
116735-67-2
Molecular Formula:
C9H12FNO
Molecular Weight:
169.1961
MDL Number:
MFCD06800759
IUPAC Name:
3-(2-fluorophenoxy)propan-1-amine
InChI:
InChI=1S/C9H12FNO/c10-8-4-1-2-5-9(8)12-7-3-6-11/h1-2,4-5H,3,6-7,11H2
InChI Key:
XYQHFXOXCODNSC-UHFFFAOYSA-N
SMILES:
NCCCOc1ccccc1F
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.09g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
169.199g/mol
Monoisotopic Mass:
169.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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