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1001414-95-4

1001414-95-4 | 2-Pyridinemethanamine, 4-bromo-, hydrochloride (1:2)

CAS No: 1001414-95-4 Catalog No: AG000139 MDL No:MFCD22741588

Product Description

Catalog Number:
AG000139
Chemical Name:
2-Pyridinemethanamine, 4-bromo-, hydrochloride (1:2)
CAS Number:
1001414-95-4
Molecular Formula:
C6H9BrCl2N2
Molecular Weight:
259.9591
MDL Number:
MFCD22741588
IUPAC Name:
(4-bromopyridin-2-yl)methanamine;hydrochloride
InChI:
InChI=1S/C6H7BrN2.ClH/c7-5-1-2-9-6(3-5)4-8;/h1-3H,4,8H2;1H
InChI Key:
AGGJLXXNEQXMIB-UHFFFAOYSA-N
SMILES:
NCc1nccc(c1)Br.Cl.Cl

Properties

Complexity:
87.1  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.956g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
223.498g/mol
Monoisotopic Mass:
221.956g/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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