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1251953-04-4 | 3-Pyridinemethanamine, 6-bromo-, hydrochloride (1:2)
CAS No: 1251953-04-4 Catalog No: AG000NBU MDL No:
Product Description
Catalog Number:
AG000NBU
Chemical Name:
3-Pyridinemethanamine, 6-bromo-, hydrochloride (1:2)
CAS Number:
1251953-04-4
Molecular Formula:
C6H9BrCl2N2
Molecular Weight:
259.9591
IUPAC Name:
(6-bromopyridin-3-yl)methanamine;dihydrochloride
InChI:
InChI=1S/C6H7BrN2.2ClH/c7-6-2-1-5(3-8)4-9-6;;/h1-2,4H,3,8H2;2*1H
InChI Key:
SHFZHNCEXZZQIN-UHFFFAOYSA-N
SMILES:
NCc1ccc(nc1)Br.Cl.Cl
Properties
Complexity:
87.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.933g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
259.956g/mol
Monoisotopic Mass:
257.933g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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