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1289076-09-0 | 1-Propanamine, 3-[(4-bromo-2-pyridinyl)oxy]-
CAS No: 1289076-09-0 Catalog No: AG000YHJ MDL No:
Product Description
Catalog Number:
AG000YHJ
Chemical Name:
1-Propanamine, 3-[(4-bromo-2-pyridinyl)oxy]-
CAS Number:
1289076-09-0
Molecular Formula:
C8H11BrN2O
Molecular Weight:
231.0897
IUPAC Name:
3-(4-bromopyridin-2-yl)oxypropan-1-amine
InChI:
InChI=1S/C8H11BrN2O/c9-7-2-4-11-8(6-7)12-5-1-3-10/h2,4,6H,1,3,5,10H2
InChI Key:
XQHRJIGIYZYRQN-UHFFFAOYSA-N
SMILES:
NCCCOc1cc(Br)ccn1
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.005g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.093g/mol
Monoisotopic Mass:
230.005g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
48.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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